3-amino-4-hydroxy-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-4-methyl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;4-morpholin-4-yl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;1-morpholin-4-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one

C100H161N15O8 — CID 159741538

IUPAC3-amino-4-hydroxy-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-4-methyl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;4-morpholin-4-yl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;1-morpholin-4-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one
SMILESCC(C)C(N)C(=O)CC1(Cc2ccccn2)CCN(C(C)C)CC1.CC(C)N1CCC(CC(=O)CCN2CCOCC2)(Cc2ccccn2)CC1.CC(C)N1CCC(CC(=O)CN2CCOCC2)(Cc2ccccn2)CC1.CC(N)C(=O)CC1(Cc2ccccn2)CCN(C(C)C)CC1.CC(O)C(N)C(=O)CC1(Cc2ccccn2)CCN(C(C)C)CC1
InChIInChI=1S/C22H35N3O2.C21H33N3O2.C20H33N3O.C19H31N3O2.C18H29N3O/c1-19(2)25-11-7-22(8-12-25,17-20-5-3-4-9-23-20)18-21(26)6-10-24-13-15-27-16-14-24;1-18(2)24-9-6-21(7-10-24,15-19-5-3-4-8-22-19)16-20(25)17-23-11-13-26-14-12-23;1-15(2)19(21)18(24)14-20(13-17-7-5-6-10-22-17)8-11-23(12-9-20)16(3)4;1-14(2)22-10-7-19(8-11-22,12-16-6-4-5-9-21-16)13-17(24)18(20)15(3)23;1-14(2)21-10-7-18(8-11-21,13-17(22)15(3)19)12-16-6-4-5-9-20-16/h3-5,9,19H,6-8,10-18H2,1-2H3;3-5,8,18H,6-7,9-17H2,1-2H3;5-7,10,15-16,19H,8-9,11-14,21H2,1-4H3;4-6,9,14-15,18,23H,7-8,10-13,20H2,1-3H3;4-6,9,14-15H,7-8,10-13,19H2,1-3H3
InChIKeyNCNCYJXSEZFFSI-UHFFFAOYSA-N
MW1701.48 g/mol
LogP12.46
Rot. Bonds35

About 3-amino-4-hydroxy-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-4-methyl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;4-morpholin-4-yl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;1-morpholin-4-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one

3-amino-4-hydroxy-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-4-methyl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;4-morpholin-4-yl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;1-morpholin-4-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one (PubChem CID 159741538) has the molecular formula C100H161N15O8 and a molecular weight of 1701.48 g/mol. Its IUPAC name is 3-amino-4-hydroxy-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-4-methyl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;4-morpholin-4-yl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;1-morpholin-4-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one.

Molecular Properties

Compound Name3-amino-4-hydroxy-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-4-methyl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;4-morpholin-4-yl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;1-morpholin-4-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one
PubChem CID159741538
Molecular FormulaC100H161N15O8
Molecular Weight1701.48 g/mol
Exact Mass1700.27
IUPAC Name3-amino-4-hydroxy-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-4-methyl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;4-morpholin-4-yl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;1-morpholin-4-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one
SMILESCC(C)C(N)C(=O)CC1(Cc2ccccn2)CCN(C(C)C)CC1.CC(C)N1CCC(CC(=O)CCN2CCOCC2)(Cc2ccccn2)CC1.CC(C)N1CCC(CC(=O)CN2CCOCC2)(Cc2ccccn2)CC1.CC(N)C(=O)CC1(Cc2ccccn2)CCN(C(C)C)CC1.CC(O)C(N)C(=O)CC1(Cc2ccccn2)CCN(C(C)C)CC1
InChIInChI=1S/C22H35N3O2.C21H33N3O2.C20H33N3O.C19H31N3O2.C18H29N3O/c1-19(2)25-11-7-22(8-12-25,17-20-5-3-4-9-23-20)18-21(26)6-10-24-13-15-27-16-14-24;1-18(2)24-9-6-21(7-10-24,15-19-5-3-4-8-22-19)16-20(25)17-23-11-13-26-14-12-23;1-15(2)19(21)18(24)14-20(13-17-7-5-6-10-22-17)8-11-23(12-9-20)16(3)4;1-14(2)22-10-7-19(8-11-22,12-16-6-4-5-9-21-16)13-17(24)18(20)15(3)23;1-14(2)21-10-7-18(8-11-21,13-17(22)15(3)19)12-16-6-4-5-9-20-16/h3-5,9,19H,6-8,10-18H2,1-2H3;3-5,8,18H,6-7,9-17H2,1-2H3;5-7,10,15-16,19H,8-9,11-14,21H2,1-4H3;4-6,9,14-15,18,23H,7-8,10-13,20H2,1-3H3;4-6,9,14-15H,7-8,10-13,19H2,1-3H3
InChIKeyNCNCYJXSEZFFSI-UHFFFAOYSA-N
XLogP12.46
TPSA289.23 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds35
Heavy Atoms123
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001701.48
LogP ≤ 512.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze 3-amino-4-hydroxy-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-4-methyl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;4-morpholin-4-yl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;1-morpholin-4-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-4-methyl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;4-morpholin-4-yl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;1-morpholin-4-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one?
The IUPAC name of 3-amino-4-hydroxy-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-4-methyl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;4-morpholin-4-yl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;1-morpholin-4-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one (CID 159741538) is 3-amino-4-hydroxy-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-4-methyl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;4-morpholin-4-yl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;1-morpholin-4-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one.
What is the SMILES notation for 3-amino-4-hydroxy-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-4-methyl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;4-morpholin-4-yl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;1-morpholin-4-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one?
The canonical SMILES for 3-amino-4-hydroxy-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-4-methyl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;4-morpholin-4-yl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;1-morpholin-4-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one is CC(C)C(N)C(=O)CC1(Cc2ccccn2)CCN(C(C)C)CC1.CC(C)N1CCC(CC(=O)CCN2CCOCC2)(Cc2ccccn2)CC1.CC(C)N1CCC(CC(=O)CN2CCOCC2)(Cc2ccccn2)CC1.CC(N)C(=O)CC1(Cc2ccccn2)CCN(C(C)C)CC1.CC(O)C(N)C(=O)CC1(Cc2ccccn2)CCN(C(C)C)CC1.
What is the InChIKey of 3-amino-4-hydroxy-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-4-methyl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;4-morpholin-4-yl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;1-morpholin-4-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one?
The InChIKey is NCNCYJXSEZFFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2.C21H33N3O2.C20H33N3O.C19H31N3O2.C18H29N3O/c1-19(2)25-11-7-22(8-12-25,17-20-5-3-4-9-23-20)18-21(26)6-10-24-13-15-27-16-14-24;1-18(2)24-9-6-21(7-10-24,15-19-5-3-4-8-22-19)16-20(25)17-23-11-13-26-14-12-23;1-15(2)19(21)18(24)14-20(13-17-7-5-6-10-22-17)8-11-23(12-9-20)16(3)4;1-14(2)22-10-7-19(8-11-22,12-16-6-4-5-9-21-16)13-17(24)18(20)15(3)23;1-14(2)21-10-7-18(8-11-21,13-17(22)15(3)19)12-16-6-4-5-9-20-16/h3-5,9,19H,6-8,10-18H2,1-2H3;3-5,8,18H,6-7,9-17H2,1-2H3;5-7,10,15-16,19H,8-9,11-14,21H2,1-4H3;4-6,9,14-15,18,23H,7-8,10-13,20H2,1-3H3;4-6,9,14-15H,7-8,10-13,19H2,1-3H3.
What are the key properties of 3-amino-4-hydroxy-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-4-methyl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;4-morpholin-4-yl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;1-morpholin-4-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one?
3-amino-4-hydroxy-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-4-methyl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;4-morpholin-4-yl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;1-morpholin-4-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one has a molecular weight of 1701.48 g/mol, XLogP of 12.46, 35 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-4-methyl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;4-morpholin-4-yl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;1-morpholin-4-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one is sourced from PubChem (CID 159741538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).