1-[[(4S)-1-[2-(cyclohexylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide

C32H45N3O5 — CID 139346939

IUPAC1-[[(4S)-1-[2-(cyclohexylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cn(C[C@]2(O)CCN(C(=O)C(CO)CC3CCCCC3)CC2(C)C)c(=O)cc1-c1ccccc1
InChIInChI=1S/C32H45N3O5/c1-31(2)21-34(29(38)25(20-36)17-23-11-7-5-8-12-23)16-15-32(31,40)22-35-19-27(30(39)33(3)4)26(18-28(35)37)24-13-9-6-10-14-24/h6,9-10,13-14,18-19,23,25,36,40H,5,7-8,11-12,15-17,20-22H2,1-4H3/t25?,32-/m1/s1
InChIKeyKFOBBIDJTVSUCV-YNKGCYCKSA-N
MW551.73 g/mol
LogP3.79
Rot. Bonds8

About 1-[[(4S)-1-[2-(cyclohexylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide

1-[[(4S)-1-[2-(cyclohexylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (PubChem CID 139346939) has the molecular formula C32H45N3O5 and a molecular weight of 551.73 g/mol. Its IUPAC name is 1-[[(4S)-1-[2-(cyclohexylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[(4S)-1-[2-(cyclohexylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
PubChem CID139346939
Molecular FormulaC32H45N3O5
Molecular Weight551.73 g/mol
Exact Mass551.34
IUPAC Name1-[[(4S)-1-[2-(cyclohexylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cn(C[C@]2(O)CCN(C(=O)C(CO)CC3CCCCC3)CC2(C)C)c(=O)cc1-c1ccccc1
InChIInChI=1S/C32H45N3O5/c1-31(2)21-34(29(38)25(20-36)17-23-11-7-5-8-12-23)16-15-32(31,40)22-35-19-27(30(39)33(3)4)26(18-28(35)37)24-13-9-6-10-14-24/h6,9-10,13-14,18-19,23,25,36,40H,5,7-8,11-12,15-17,20-22H2,1-4H3/t25?,32-/m1/s1
InChIKeyKFOBBIDJTVSUCV-YNKGCYCKSA-N
XLogP3.79
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.73
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[(4S)-1-[2-(cyclohexylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4S)-1-[2-(cyclohexylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The IUPAC name of 1-[[(4S)-1-[2-(cyclohexylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (CID 139346939) is 1-[[(4S)-1-[2-(cyclohexylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for 1-[[(4S)-1-[2-(cyclohexylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The canonical SMILES for 1-[[(4S)-1-[2-(cyclohexylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is CN(C)C(=O)c1cn(C[C@]2(O)CCN(C(=O)C(CO)CC3CCCCC3)CC2(C)C)c(=O)cc1-c1ccccc1.
What is the InChIKey of 1-[[(4S)-1-[2-(cyclohexylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The InChIKey is KFOBBIDJTVSUCV-YNKGCYCKSA-N. The full InChI is InChI=1S/C32H45N3O5/c1-31(2)21-34(29(38)25(20-36)17-23-11-7-5-8-12-23)16-15-32(31,40)22-35-19-27(30(39)33(3)4)26(18-28(35)37)24-13-9-6-10-14-24/h6,9-10,13-14,18-19,23,25,36,40H,5,7-8,11-12,15-17,20-22H2,1-4H3/t25?,32-/m1/s1.
What are the key properties of 1-[[(4S)-1-[2-(cyclohexylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
1-[[(4S)-1-[2-(cyclohexylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide has a molecular weight of 551.73 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4S)-1-[2-(cyclohexylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 139346939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).