4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide

C23H29N3O3 — CID 46381852

IUPAC4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide
SMILESCOc1cccc(CC(=O)NCCC2CCN(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C23H29N3O3/c1-29-21-9-5-6-19(16-21)17-22(27)24-13-10-18-11-14-26(15-12-18)23(28)25-20-7-3-2-4-8-20/h2-9,16,18H,10-15,17H2,1H3,(H,24,27)(H,25,28)
InChIKeyHHKFEERABDTKSV-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.69
Rot. Bonds7

About 4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide

4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 46381852) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide
PubChem CID46381852
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide
SMILESCOc1cccc(CC(=O)NCCC2CCN(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C23H29N3O3/c1-29-21-9-5-6-19(16-21)17-22(27)24-13-10-18-11-14-26(15-12-18)23(28)25-20-7-3-2-4-8-20/h2-9,16,18H,10-15,17H2,1H3,(H,24,27)(H,25,28)
InChIKeyHHKFEERABDTKSV-UHFFFAOYSA-N
XLogP3.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903674
4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide
CID 91913194
N-(3-fluoro-4-methylphenyl)-4-[2-[3-(3-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide
CID 91903719
4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 99559457
4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide
CID 95127154
N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide
CID 91903542
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
4-[(3-methoxybenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 43814029
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
2-(3-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 55248998
4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
CID 52998803
N-phenyl-4-[2-(thiophene-3-carbonylamino)ethyl]piperidine-1-carboxamide
CID 91903510

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide (CID 46381852) is 4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide is COc1cccc(CC(=O)NCCC2CCN(C(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is HHKFEERABDTKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-29-21-9-5-6-19(16-21)17-22(27)24-13-10-18-11-14-26(15-12-18)23(28)25-20-7-3-2-4-8-20/h2-9,16,18H,10-15,17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide?
4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46381852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).