(2S)-N-[2-(3-methoxyphenyl)phenyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide

C20H23N3O3 — CID 125168037

IUPAC(2S)-N-[2-(3-methoxyphenyl)phenyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCOc1cccc(-c2ccccc2NC(=O)N2CCN(C)C(=O)[C@@H]2C)c1
InChIInChI=1S/C20H23N3O3/c1-14-19(24)22(2)11-12-23(14)20(25)21-18-10-5-4-9-17(18)15-7-6-8-16(13-15)26-3/h4-10,13-14H,11-12H2,1-3H3,(H,21,25)/t14-/m0/s1
InChIKeyIPWGKHWRUKLACI-AWEZNQCLSA-N
MW353.42 g/mol
LogP3.06
Rot. Bonds3

About (2S)-N-[2-(3-methoxyphenyl)phenyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide

(2S)-N-[2-(3-methoxyphenyl)phenyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide (PubChem CID 125168037) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2S)-N-[2-(3-methoxyphenyl)phenyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(3-methoxyphenyl)phenyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
PubChem CID125168037
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(2S)-N-[2-(3-methoxyphenyl)phenyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCOc1cccc(-c2ccccc2NC(=O)N2CCN(C)C(=O)[C@@H]2C)c1
InChIInChI=1S/C20H23N3O3/c1-14-19(24)22(2)11-12-23(14)20(25)21-18-10-5-4-9-17(18)15-7-6-8-16(13-15)26-3/h4-10,13-14H,11-12H2,1-3H3,(H,21,25)/t14-/m0/s1
InChIKeyIPWGKHWRUKLACI-AWEZNQCLSA-N
XLogP3.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-N-[2-(3-methoxyphenyl)phenyl]piperidine-1-carboxamide
CID 125164364
4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one
CID 110708267
(1S,5R)-8-(dimethylamino)-N-[2-(3-methoxyphenyl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 74232773
N-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
CID 154903511
(3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one
CID 95199734
N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide
CID 171686778
N-[2-(3-methoxyphenyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 72929287
N-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide
CID 126461711
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 171687153
N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 46990759
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 126441036

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3-methoxyphenyl)phenyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2S)-N-[2-(3-methoxyphenyl)phenyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide (CID 125168037) is (2S)-N-[2-(3-methoxyphenyl)phenyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2S)-N-[2-(3-methoxyphenyl)phenyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2S)-N-[2-(3-methoxyphenyl)phenyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide is COc1cccc(-c2ccccc2NC(=O)N2CCN(C)C(=O)[C@@H]2C)c1.
What is the InChIKey of (2S)-N-[2-(3-methoxyphenyl)phenyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
The InChIKey is IPWGKHWRUKLACI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-19(24)22(2)11-12-23(14)20(25)21-18-10-5-4-9-17(18)15-7-6-8-16(13-15)26-3/h4-10,13-14H,11-12H2,1-3H3,(H,21,25)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(3-methoxyphenyl)phenyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
(2S)-N-[2-(3-methoxyphenyl)phenyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3-methoxyphenyl)phenyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 125168037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).