2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide;tert-butyl N-[1-[2-[[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;2-fluorobenzenesulfonyl chloride;2-(4-fluorophenyl)-3-pyridin-3-ylpropan-1-amine;N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]-2-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide;2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid

C106H133ClF6N16O13S2 — CID 169429439

IUPAC2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide;tert-butyl N-[1-[2-[[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;2-fluorobenzenesulfonyl chloride;2-(4-fluorophenyl)-3-pyridin-3-ylpropan-1-amine;N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]-2-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide;2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)NC1CCN(CC(=O)NCC(Cc2cccnc2)c2ccc(F)cc2)CC1.CC(C)(C)OC(=O)NC1CCN(CC(=O)O)CC1.NC1CCN(CC(=O)NCC(Cc2cccnc2)c2ccc(F)cc2)CC1.NCC(Cc1cccnc1)c1ccc(F)cc1.O=C(CN1CCC(NS(=O)(=O)c2ccccc2F)CC1)NCC(Cc1cccnc1)c1ccc(F)cc1.O=S(=O)(Cl)c1ccccc1F
InChIInChI=1S/C27H30F2N4O3S.C26H35FN4O3.C21H27FN4O.C14H15FN2.C12H22N2O4.C6H4ClFO2S/c28-23-9-7-21(8-10-23)22(16-20-4-3-13-30-17-20)18-31-27(34)19-33-14-11-24(12-15-33)32-37(35,36)26-6-2-1-5-25(26)29;1-26(2,3)34-25(33)30-23-10-13-31(14-11-23)18-24(32)29-17-21(15-19-5-4-12-28-16-19)20-6-8-22(27)9-7-20;22-19-5-3-17(4-6-19)18(12-16-2-1-9-24-13-16)14-25-21(27)15-26-10-7-20(23)8-11-26;15-14-5-3-12(4-6-14)13(9-16)8-11-2-1-7-17-10-11;1-12(2,3)18-11(17)13-9-4-6-14(7-5-9)8-10(15)16;7-11(9,10)6-4-2-1-3-5(6)8/h1-10,13,17,22,24,32H,11-12,14-16,18-19H2,(H,31,34);4-9,12,16,21,23H,10-11,13-15,17-18H2,1-3H3,(H,29,32)(H,30,33);1-6,9,13,18,20H,7-8,10-12,14-15,23H2,(H,25,27);1-7,10,13H,8-9,16H2;9H,4-8H2,1-3H3,(H,13,17)(H,15,16);1-4H
InChIKeyREOAXZFBMCSEKH-UHFFFAOYSA-N
MW2052.90 g/mol
LogP14.30
Rot. Bonds33

About 2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide;tert-butyl N-[1-[2-[[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;2-fluorobenzenesulfonyl chloride;2-(4-fluorophenyl)-3-pyridin-3-ylpropan-1-amine;N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]-2-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide;2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid

2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide;tert-butyl N-[1-[2-[[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;2-fluorobenzenesulfonyl chloride;2-(4-fluorophenyl)-3-pyridin-3-ylpropan-1-amine;N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]-2-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide;2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid (PubChem CID 169429439) has the molecular formula C106H133ClF6N16O13S2 and a molecular weight of 2052.90 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide;tert-butyl N-[1-[2-[[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;2-fluorobenzenesulfonyl chloride;2-(4-fluorophenyl)-3-pyridin-3-ylpropan-1-amine;N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]-2-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide;2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide;tert-butyl N-[1-[2-[[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;2-fluorobenzenesulfonyl chloride;2-(4-fluorophenyl)-3-pyridin-3-ylpropan-1-amine;N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]-2-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide;2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid
PubChem CID169429439
Molecular FormulaC106H133ClF6N16O13S2
Molecular Weight2052.90 g/mol
Exact Mass2050.93
IUPAC Name2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide;tert-butyl N-[1-[2-[[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;2-fluorobenzenesulfonyl chloride;2-(4-fluorophenyl)-3-pyridin-3-ylpropan-1-amine;N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]-2-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide;2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)NC1CCN(CC(=O)NCC(Cc2cccnc2)c2ccc(F)cc2)CC1.CC(C)(C)OC(=O)NC1CCN(CC(=O)O)CC1.NC1CCN(CC(=O)NCC(Cc2cccnc2)c2ccc(F)cc2)CC1.NCC(Cc1cccnc1)c1ccc(F)cc1.O=C(CN1CCC(NS(=O)(=O)c2ccccc2F)CC1)NCC(Cc1cccnc1)c1ccc(F)cc1.O=S(=O)(Cl)c1ccccc1F
InChIInChI=1S/C27H30F2N4O3S.C26H35FN4O3.C21H27FN4O.C14H15FN2.C12H22N2O4.C6H4ClFO2S/c28-23-9-7-21(8-10-23)22(16-20-4-3-13-30-17-20)18-31-27(34)19-33-14-11-24(12-15-33)32-37(35,36)26-6-2-1-5-25(26)29;1-26(2,3)34-25(33)30-23-10-13-31(14-11-23)18-24(32)29-17-21(15-19-5-4-12-28-16-19)20-6-8-22(27)9-7-20;22-19-5-3-17(4-6-19)18(12-16-2-1-9-24-13-16)14-25-21(27)15-26-10-7-20(23)8-11-26;15-14-5-3-12(4-6-14)13(9-16)8-11-2-1-7-17-10-11;1-12(2,3)18-11(17)13-9-4-6-14(7-5-9)8-10(15)16;7-11(9,10)6-4-2-1-3-5(6)8/h1-10,13,17,22,24,32H,11-12,14-16,18-19H2,(H,31,34);4-9,12,16,21,23H,10-11,13-15,17-18H2,1-3H3,(H,29,32)(H,30,33);1-6,9,13,18,20H,7-8,10-12,14-15,23H2,(H,25,27);1-7,10,13H,8-9,16H2;9H,4-8H2,1-3H3,(H,13,17)(H,15,16);1-4H
InChIKeyREOAXZFBMCSEKH-UHFFFAOYSA-N
XLogP14.30
TPSA398.13 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds33
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002052.90
LogP ≤ 514.30
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Analyze 2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide;tert-butyl N-[1-[2-[[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;2-fluorobenzenesulfonyl chloride;2-(4-fluorophenyl)-3-pyridin-3-ylpropan-1-amine;N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]-2-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide;2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide;tert-butyl N-[1-[2-[[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;2-fluorobenzenesulfonyl chloride;2-(4-fluorophenyl)-3-pyridin-3-ylpropan-1-amine;N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]-2-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide;2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide;tert-butyl N-[1-[2-[[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;2-fluorobenzenesulfonyl chloride;2-(4-fluorophenyl)-3-pyridin-3-ylpropan-1-amine;N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]-2-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide;2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid (CID 169429439) is 2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide;tert-butyl N-[1-[2-[[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;2-fluorobenzenesulfonyl chloride;2-(4-fluorophenyl)-3-pyridin-3-ylpropan-1-amine;N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]-2-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide;2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide;tert-butyl N-[1-[2-[[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;2-fluorobenzenesulfonyl chloride;2-(4-fluorophenyl)-3-pyridin-3-ylpropan-1-amine;N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]-2-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide;2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide;tert-butyl N-[1-[2-[[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;2-fluorobenzenesulfonyl chloride;2-(4-fluorophenyl)-3-pyridin-3-ylpropan-1-amine;N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]-2-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide;2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid is CC(C)(C)OC(=O)NC1CCN(CC(=O)NCC(Cc2cccnc2)c2ccc(F)cc2)CC1.CC(C)(C)OC(=O)NC1CCN(CC(=O)O)CC1.NC1CCN(CC(=O)NCC(Cc2cccnc2)c2ccc(F)cc2)CC1.NCC(Cc1cccnc1)c1ccc(F)cc1.O=C(CN1CCC(NS(=O)(=O)c2ccccc2F)CC1)NCC(Cc1cccnc1)c1ccc(F)cc1.O=S(=O)(Cl)c1ccccc1F.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide;tert-butyl N-[1-[2-[[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;2-fluorobenzenesulfonyl chloride;2-(4-fluorophenyl)-3-pyridin-3-ylpropan-1-amine;N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]-2-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide;2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid?
The InChIKey is REOAXZFBMCSEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N4O3S.C26H35FN4O3.C21H27FN4O.C14H15FN2.C12H22N2O4.C6H4ClFO2S/c28-23-9-7-21(8-10-23)22(16-20-4-3-13-30-17-20)18-31-27(34)19-33-14-11-24(12-15-33)32-37(35,36)26-6-2-1-5-25(26)29;1-26(2,3)34-25(33)30-23-10-13-31(14-11-23)18-24(32)29-17-21(15-19-5-4-12-28-16-19)20-6-8-22(27)9-7-20;22-19-5-3-17(4-6-19)18(12-16-2-1-9-24-13-16)14-25-21(27)15-26-10-7-20(23)8-11-26;15-14-5-3-12(4-6-14)13(9-16)8-11-2-1-7-17-10-11;1-12(2,3)18-11(17)13-9-4-6-14(7-5-9)8-10(15)16;7-11(9,10)6-4-2-1-3-5(6)8/h1-10,13,17,22,24,32H,11-12,14-16,18-19H2,(H,31,34);4-9,12,16,21,23H,10-11,13-15,17-18H2,1-3H3,(H,29,32)(H,30,33);1-6,9,13,18,20H,7-8,10-12,14-15,23H2,(H,25,27);1-7,10,13H,8-9,16H2;9H,4-8H2,1-3H3,(H,13,17)(H,15,16);1-4H.
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide;tert-butyl N-[1-[2-[[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;2-fluorobenzenesulfonyl chloride;2-(4-fluorophenyl)-3-pyridin-3-ylpropan-1-amine;N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]-2-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide;2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid?
2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide;tert-butyl N-[1-[2-[[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;2-fluorobenzenesulfonyl chloride;2-(4-fluorophenyl)-3-pyridin-3-ylpropan-1-amine;N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]-2-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide;2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid has a molecular weight of 2052.90 g/mol, XLogP of 14.30, 33 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide;tert-butyl N-[1-[2-[[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;2-fluorobenzenesulfonyl chloride;2-(4-fluorophenyl)-3-pyridin-3-ylpropan-1-amine;N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]-2-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide;2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid is sourced from PubChem (CID 169429439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).