4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide

C23H29N3O4 — CID 52998803

IUPAC4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)CC2CCN(C(=O)Nc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C23H29N3O4/c1-29-20-9-8-18(21(15-20)30-2)16-24-22(27)14-17-10-12-26(13-11-17)23(28)25-19-6-4-3-5-7-19/h3-9,15,17H,10-14,16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyVSFSLBBLJKPJKW-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.65
Rot. Bonds7

About 4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide

4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 52998803) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
PubChem CID52998803
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)CC2CCN(C(=O)Nc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C23H29N3O4/c1-29-20-9-8-18(21(15-20)30-2)16-24-22(27)14-17-10-12-26(13-11-17)23(28)25-19-6-4-3-5-7-19/h3-9,15,17H,10-14,16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyVSFSLBBLJKPJKW-UHFFFAOYSA-N
XLogP3.65
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-4-[2-[2-(2,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 52998745
N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295159
4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 53057643
N-[(2,4-dimethoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 63362840
N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 50816995
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide
CID 46381852
4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 53198889
3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55413626
(3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 8532806
4-[2-[(4-methylsulfanylphenyl)methylamino]-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 53057646
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide (CID 52998803) is 4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide is COc1ccc(CNC(=O)CC2CCN(C(=O)Nc3ccccc3)CC2)c(OC)c1.
What is the InChIKey of 4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is VSFSLBBLJKPJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-29-20-9-8-18(21(15-20)30-2)16-24-22(27)14-17-10-12-26(13-11-17)23(28)25-19-6-4-3-5-7-19/h3-9,15,17H,10-14,16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide?
4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 52998803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).