1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide

C20H30N2O3 — CID 49405666

IUPAC1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)Cc2ccccc2OC)C1
InChIInChI=1S/C20H30N2O3/c1-4-8-15(2)21-20(24)17-10-7-12-22(14-17)19(23)13-16-9-5-6-11-18(16)25-3/h5-6,9,11,15,17H,4,7-8,10,12-14H2,1-3H3,(H,21,24)
InChIKeyVCCIFIZDBXWLGP-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.78
Rot. Bonds7

About 1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide

1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide (PubChem CID 49405666) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide
PubChem CID49405666
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)Cc2ccccc2OC)C1
InChIInChI=1S/C20H30N2O3/c1-4-8-15(2)21-20(24)17-10-7-12-22(14-17)19(23)13-16-9-5-6-11-18(16)25-3/h5-6,9,11,15,17H,4,7-8,10,12-14H2,1-3H3,(H,21,24)
InChIKeyVCCIFIZDBXWLGP-UHFFFAOYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082698
1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49404500
N-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50803996
(3S)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 94820613
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
2-(2-methoxyphenyl)-1-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616146
2-(2-methoxyphenyl)-1-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616147
(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367783
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone
CID 110799375
1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120591034
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 63765744
5-(2-methoxyphenyl)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid;hydrochloride
CID 70113468

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide (CID 49405666) is 1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide is CCCC(C)NC(=O)C1CCCN(C(=O)Cc2ccccc2OC)C1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide?
The InChIKey is VCCIFIZDBXWLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-4-8-15(2)21-20(24)17-10-7-12-22(14-17)19(23)13-16-9-5-6-11-18(16)25-3/h5-6,9,11,15,17H,4,7-8,10,12-14H2,1-3H3,(H,21,24).
What are the key properties of 1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide?
1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 49405666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).