3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide

C28H30N2O4 — CID 92872341

IUPAC3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCc4ccccc4OC)c3)C2)cc1
InChIInChI=1S/C28H30N2O4/c1-33-25-14-12-20(13-15-25)28(32)30-16-6-10-24(19-30)21-8-5-9-22(17-21)27(31)29-18-23-7-3-4-11-26(23)34-2/h3-5,7-9,11-15,17,24H,6,10,16,18-19H2,1-2H3,(H,29,31)/t24-/m1/s1
InChIKeySSVAOMPZKNNUBS-XMMPIXPASA-N
MW458.56 g/mol
LogP4.65
Rot. Bonds7

About 3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide

3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 92872341) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID92872341
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Name3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCc4ccccc4OC)c3)C2)cc1
InChIInChI=1S/C28H30N2O4/c1-33-25-14-12-20(13-15-25)28(32)30-16-6-10-24(19-30)21-8-5-9-22(17-21)27(31)29-18-23-7-3-4-11-26(23)34-2/h3-5,7-9,11-15,17,24H,6,10,16,18-19H2,1-2H3,(H,29,31)/t24-/m1/s1
InChIKeySSVAOMPZKNNUBS-XMMPIXPASA-N
XLogP4.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 92872473
N-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 46333958
N-[(3-chlorophenyl)methyl]-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 46333937
N-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 92872314
3-[3-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789015
N-cyclopentyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 46333939
(3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872750
(3S)-3-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92890941
N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051991
3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788910
N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 46333935
4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109047377

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide (CID 92872341) is 3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide is COc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCc4ccccc4OC)c3)C2)cc1.
What is the InChIKey of 3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is SSVAOMPZKNNUBS-XMMPIXPASA-N. The full InChI is InChI=1S/C28H30N2O4/c1-33-25-14-12-20(13-15-25)28(32)30-16-6-10-24(19-30)21-8-5-9-22(17-21)27(31)29-18-23-7-3-4-11-26(23)34-2/h3-5,7-9,11-15,17,24H,6,10,16,18-19H2,1-2H3,(H,29,31)/t24-/m1/s1.
What are the key properties of 3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide?
3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 458.56 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 92872341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).