1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide

C20H22N2O3 — CID 57241703

IUPAC1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide
SMILESCOc1cccc(C2(C(=O)N=O)CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H22N2O3/c1-25-18-9-5-8-17(14-18)20(19(23)21-24)10-12-22(13-11-20)15-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3
InChIKeyUSJXYEIFYXJHIY-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.52
Rot. Bonds5

About 1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide

1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide (PubChem CID 57241703) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide
PubChem CID57241703
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide
SMILESCOc1cccc(C2(C(=O)N=O)CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H22N2O3/c1-25-18-9-5-8-17(14-18)20(19(23)21-24)10-12-22(13-11-20)15-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3
InChIKeyUSJXYEIFYXJHIY-UHFFFAOYSA-N
XLogP3.52
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol
CID 22729919
1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
CID 67562153
N-[[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-6-methoxycyclohexa-1,5-diene-1-carboxamide
CID 142821284
1-benzyl-4-(3-methoxyphenyl)-4-(4-thiophen-2-ylphenyl)piperidine
CID 22729934
4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 1446411
(4aR,8aS)-2-benzyl-8a-hydroxy-4a-(3-methoxyphenyl)-1,3,4,5,7,8-hexahydroisoquinolin-6-one
CID 67693160
1-(3-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 55945200
(4-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90503696
2-(4-benzylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109000996
4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108900940
1-benzyl-4-(3,4-dimethylphenyl)piperidine-4-carbonyl chloride;hydrochloride
CID 87591877
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide?
The IUPAC name of 1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide (CID 57241703) is 1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide is COc1cccc(C2(C(=O)N=O)CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide?
The InChIKey is USJXYEIFYXJHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-25-18-9-5-8-17(14-18)20(19(23)21-24)10-12-22(13-11-20)15-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide?
1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide is sourced from PubChem (CID 57241703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).