1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-(2-methoxyphenyl)-N-methyl-6-oxo-N-propan-2-ylpyridine-3-carboxamide

C33H41N3O5 — CID 139346944

IUPAC1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-(2-methoxyphenyl)-N-methyl-6-oxo-N-propan-2-ylpyridine-3-carboxamide
SMILESCOc1ccccc1-c1cc(=O)n(CC2(O)CCN(C(=O)CC(C)c3ccccc3)CC2)cc1C(=O)N(C)C(C)C
InChIInChI=1S/C33H41N3O5/c1-23(2)34(4)32(39)28-21-36(31(38)20-27(28)26-13-9-10-14-29(26)41-5)22-33(40)15-17-35(18-16-33)30(37)19-24(3)25-11-7-6-8-12-25/h6-14,20-21,23-24,40H,15-19,22H2,1-5H3
InChIKeyCHTFZUHGTFXRPB-UHFFFAOYSA-N
MW559.71 g/mol
LogP4.55
Rot. Bonds9

About 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-(2-methoxyphenyl)-N-methyl-6-oxo-N-propan-2-ylpyridine-3-carboxamide

1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-(2-methoxyphenyl)-N-methyl-6-oxo-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 139346944) has the molecular formula C33H41N3O5 and a molecular weight of 559.71 g/mol. Its IUPAC name is 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-(2-methoxyphenyl)-N-methyl-6-oxo-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-(2-methoxyphenyl)-N-methyl-6-oxo-N-propan-2-ylpyridine-3-carboxamide
PubChem CID139346944
Molecular FormulaC33H41N3O5
Molecular Weight559.71 g/mol
Exact Mass559.30
IUPAC Name1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-(2-methoxyphenyl)-N-methyl-6-oxo-N-propan-2-ylpyridine-3-carboxamide
SMILESCOc1ccccc1-c1cc(=O)n(CC2(O)CCN(C(=O)CC(C)c3ccccc3)CC2)cc1C(=O)N(C)C(C)C
InChIInChI=1S/C33H41N3O5/c1-23(2)34(4)32(39)28-21-36(31(38)20-27(28)26-13-9-10-14-29(26)41-5)22-33(40)15-17-35(18-16-33)30(37)19-24(3)25-11-7-6-8-12-25/h6-14,20-21,23-24,40H,15-19,22H2,1-5H3
InChIKeyCHTFZUHGTFXRPB-UHFFFAOYSA-N
XLogP4.55
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.71
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-(2-methoxyphenyl)-N-methyl-6-oxo-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-(2-methoxyphenyl)-N-methyl-6-oxo-N-propan-2-ylpyridine-3-carboxamide (CID 139346944) is 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-(2-methoxyphenyl)-N-methyl-6-oxo-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-(2-methoxyphenyl)-N-methyl-6-oxo-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-(2-methoxyphenyl)-N-methyl-6-oxo-N-propan-2-ylpyridine-3-carboxamide is COc1ccccc1-c1cc(=O)n(CC2(O)CCN(C(=O)CC(C)c3ccccc3)CC2)cc1C(=O)N(C)C(C)C.
What is the InChIKey of 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-(2-methoxyphenyl)-N-methyl-6-oxo-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is CHTFZUHGTFXRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N3O5/c1-23(2)34(4)32(39)28-21-36(31(38)20-27(28)26-13-9-10-14-29(26)41-5)22-33(40)15-17-35(18-16-33)30(37)19-24(3)25-11-7-6-8-12-25/h6-14,20-21,23-24,40H,15-19,22H2,1-5H3.
What are the key properties of 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-(2-methoxyphenyl)-N-methyl-6-oxo-N-propan-2-ylpyridine-3-carboxamide?
1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-(2-methoxyphenyl)-N-methyl-6-oxo-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 559.71 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-(2-methoxyphenyl)-N-methyl-6-oxo-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 139346944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).