1-benzyl-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]piperidine-2-carboxamide

C23H29N3O4 — CID 131910005

IUPAC1-benzyl-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]piperidine-2-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)C2CCCCN2Cc2ccccc2)cc1OC
InChIInChI=1S/C23H29N3O4/c1-29-16-22(27)25-19-12-11-18(14-21(19)30-2)24-23(28)20-10-6-7-13-26(20)15-17-8-4-3-5-9-17/h3-5,8-9,11-12,14,20H,6-7,10,13,15-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyCAIFWPFJLGOHAV-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.27
Rot. Bonds8

About 1-benzyl-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]piperidine-2-carboxamide

1-benzyl-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]piperidine-2-carboxamide (PubChem CID 131910005) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 1-benzyl-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]piperidine-2-carboxamide
PubChem CID131910005
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name1-benzyl-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]piperidine-2-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)C2CCCCN2Cc2ccccc2)cc1OC
InChIInChI=1S/C23H29N3O4/c1-29-16-22(27)25-19-12-11-18(14-21(19)30-2)24-23(28)20-10-6-7-13-26(20)15-17-8-4-3-5-9-17/h3-5,8-9,11-12,14,20H,6-7,10,13,15-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyCAIFWPFJLGOHAV-UHFFFAOYSA-N
XLogP3.27
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 1129906
N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride
CID 119420472
(2R)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1352742
1-benzyl-N-[3-(1-methoxyethyl)phenyl]piperidine-2-carboxamide
CID 75373922
N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 110194272
(2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 95308116
(2S)-1-benzyl-N-[2-methyl-4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 131942321
3-[3-[(1-benzylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 120613936
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
(2S)-1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 1119532
3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 97337283
2-(azepan-1-yl)-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 131889010

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]piperidine-2-carboxamide (CID 131910005) is 1-benzyl-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]piperidine-2-carboxamide is COCC(=O)Nc1ccc(NC(=O)C2CCCCN2Cc2ccccc2)cc1OC.
What is the InChIKey of 1-benzyl-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]piperidine-2-carboxamide?
The InChIKey is CAIFWPFJLGOHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-29-16-22(27)25-19-12-11-18(14-21(19)30-2)24-23(28)20-10-6-7-13-26(20)15-17-8-4-3-5-9-17/h3-5,8-9,11-12,14,20H,6-7,10,13,15-16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 1-benzyl-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]piperidine-2-carboxamide?
1-benzyl-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]piperidine-2-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 131910005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).