4-tert-butyl-N-[2-[4-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]-3-pyridinyl]benzamide;2-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

C100H130Cl4F3N17O5 — CID 173067517

IUPAC4-tert-butyl-N-[2-[4-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]-3-pyridinyl]benzamide;2-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCN(CCC1CCN(c2ncccc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1)CC(=O)N(C)C.NC(=O)c1cccc(C(F)(F)F)c1-c1cccnc1N1CCC(CN2CCCCC2)CC1.O=C(Nc1cc(Cl)cnc1N1CCC(CCCN2CCCCC2)CC1)c1cccc(Cl)c1.O=C(Nc1cc(Cl)cnc1N1CCC(CN2CCCCC2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C28H41N5O2.C25H32Cl2N4O.C24H29F3N4O.C23H28Cl2N4O/c1-28(2,3)23-11-9-22(10-12-23)27(35)30-24-8-7-16-29-26(24)33-18-14-21(15-19-33)13-17-32(6)20-25(34)31(4)5;26-21-8-4-7-20(16-21)25(32)29-23-17-22(27)18-28-24(23)31-14-9-19(10-15-31)6-5-13-30-11-2-1-3-12-30;25-24(26,27)20-8-4-6-18(22(28)32)21(20)19-7-5-11-29-23(19)31-14-9-17(10-15-31)16-30-12-2-1-3-13-30;24-19-6-4-5-18(13-19)23(30)27-21-14-20(25)15-26-22(21)29-11-7-17(8-12-29)16-28-9-2-1-3-10-28/h7-12,16,21H,13-15,17-20H2,1-6H3,(H,30,35);4,7-8,16-19H,1-3,5-6,9-15H2,(H,29,32);4-8,11,17H,1-3,9-10,12-16H2,(H2,28,32);4-6,13-15,17H,1-3,7-12,16H2,(H,27,30)
InChIKeyYMXDKLMLQNHBIG-UHFFFAOYSA-N
MW1849.06 g/mol
LogP20.29
Rot. Bonds25

About 4-tert-butyl-N-[2-[4-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]-3-pyridinyl]benzamide;2-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

4-tert-butyl-N-[2-[4-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]-3-pyridinyl]benzamide;2-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 173067517) has the molecular formula C100H130Cl4F3N17O5 and a molecular weight of 1849.06 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[4-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]-3-pyridinyl]benzamide;2-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[4-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]-3-pyridinyl]benzamide;2-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID173067517
Molecular FormulaC100H130Cl4F3N17O5
Molecular Weight1849.06 g/mol
Exact Mass1845.91
IUPAC Name4-tert-butyl-N-[2-[4-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]-3-pyridinyl]benzamide;2-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCN(CCC1CCN(c2ncccc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1)CC(=O)N(C)C.NC(=O)c1cccc(C(F)(F)F)c1-c1cccnc1N1CCC(CN2CCCCC2)CC1.O=C(Nc1cc(Cl)cnc1N1CCC(CCCN2CCCCC2)CC1)c1cccc(Cl)c1.O=C(Nc1cc(Cl)cnc1N1CCC(CN2CCCCC2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C28H41N5O2.C25H32Cl2N4O.C24H29F3N4O.C23H28Cl2N4O/c1-28(2,3)23-11-9-22(10-12-23)27(35)30-24-8-7-16-29-26(24)33-18-14-21(15-19-33)13-17-32(6)20-25(34)31(4)5;26-21-8-4-7-20(16-21)25(32)29-23-17-22(27)18-28-24(23)31-14-9-19(10-15-31)6-5-13-30-11-2-1-3-12-30;25-24(26,27)20-8-4-6-18(22(28)32)21(20)19-7-5-11-29-23(19)31-14-9-17(10-15-31)16-30-12-2-1-3-13-30;24-19-6-4-5-18(13-19)23(30)27-21-14-20(25)15-26-22(21)29-11-7-17(8-12-29)16-28-9-2-1-3-10-28/h7-12,16,21H,13-15,17-20H2,1-6H3,(H,30,35);4,7-8,16-19H,1-3,5-6,9-15H2,(H,29,32);4-8,11,17H,1-3,9-10,12-16H2,(H2,28,32);4-6,13-15,17H,1-3,7-12,16H2,(H,27,30)
InChIKeyYMXDKLMLQNHBIG-UHFFFAOYSA-N
XLogP20.29
TPSA228.18 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001849.06
LogP ≤ 520.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 4-tert-butyl-N-[2-[4-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]-3-pyridinyl]benzamide;2-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[4-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]-3-pyridinyl]benzamide;2-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[4-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]-3-pyridinyl]benzamide;2-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 173067517) is 4-tert-butyl-N-[2-[4-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]-3-pyridinyl]benzamide;2-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[4-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]-3-pyridinyl]benzamide;2-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[4-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]-3-pyridinyl]benzamide;2-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is CN(CCC1CCN(c2ncccc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1)CC(=O)N(C)C.NC(=O)c1cccc(C(F)(F)F)c1-c1cccnc1N1CCC(CN2CCCCC2)CC1.O=C(Nc1cc(Cl)cnc1N1CCC(CCCN2CCCCC2)CC1)c1cccc(Cl)c1.O=C(Nc1cc(Cl)cnc1N1CCC(CN2CCCCC2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 4-tert-butyl-N-[2-[4-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]-3-pyridinyl]benzamide;2-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is YMXDKLMLQNHBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N5O2.C25H32Cl2N4O.C24H29F3N4O.C23H28Cl2N4O/c1-28(2,3)23-11-9-22(10-12-23)27(35)30-24-8-7-16-29-26(24)33-18-14-21(15-19-33)13-17-32(6)20-25(34)31(4)5;26-21-8-4-7-20(16-21)25(32)29-23-17-22(27)18-28-24(23)31-14-9-19(10-15-31)6-5-13-30-11-2-1-3-12-30;25-24(26,27)20-8-4-6-18(22(28)32)21(20)19-7-5-11-29-23(19)31-14-9-17(10-15-31)16-30-12-2-1-3-13-30;24-19-6-4-5-18(13-19)23(30)27-21-14-20(25)15-26-22(21)29-11-7-17(8-12-29)16-28-9-2-1-3-10-28/h7-12,16,21H,13-15,17-20H2,1-6H3,(H,30,35);4,7-8,16-19H,1-3,5-6,9-15H2,(H,29,32);4-8,11,17H,1-3,9-10,12-16H2,(H2,28,32);4-6,13-15,17H,1-3,7-12,16H2,(H,27,30).
What are the key properties of 4-tert-butyl-N-[2-[4-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]-3-pyridinyl]benzamide;2-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
4-tert-butyl-N-[2-[4-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]-3-pyridinyl]benzamide;2-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 1849.06 g/mol, XLogP of 20.29, 25 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[4-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]-3-pyridinyl]benzamide;2-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 173067517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).