(2S)-N-[3-(dimethylcarbamoyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide

C16H22N4O3 — CID 95979462

IUPAC(2S)-N-[3-(dimethylcarbamoyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide
SMILESCC[C@H]1C(=O)NCCN1C(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C16H22N4O3/c1-4-13-14(21)17-8-9-20(13)16(23)18-12-7-5-6-11(10-12)15(22)19(2)3/h5-7,10,13H,4,8-9H2,1-3H3,(H,17,21)(H,18,23)/t13-/m0/s1
InChIKeyJAJOJAUGGLMABM-ZDUSSCGKSA-N
MW318.38 g/mol
LogP1.13
Rot. Bonds3

About (2S)-N-[3-(dimethylcarbamoyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide

(2S)-N-[3-(dimethylcarbamoyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide (PubChem CID 95979462) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is (2S)-N-[3-(dimethylcarbamoyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(dimethylcarbamoyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide
PubChem CID95979462
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name(2S)-N-[3-(dimethylcarbamoyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide
SMILESCC[C@H]1C(=O)NCCN1C(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C16H22N4O3/c1-4-13-14(21)17-8-9-20(13)16(23)18-12-7-5-6-11(10-12)15(22)19(2)3/h5-7,10,13H,4,8-9H2,1-3H3,(H,17,21)(H,18,23)/t13-/m0/s1
InChIKeyJAJOJAUGGLMABM-ZDUSSCGKSA-N
XLogP1.13
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide
CID 63604915
N-(3-bromophenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 141012271
2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide
CID 75484734
(2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide
CID 129471674
methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
CID 656047
(3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one
CID 95330414
(2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide
CID 125435737
(2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 40769227
(2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide
CID 95759828
(2S)-N-[3-(butanoylamino)phenyl]-2-(1H-imidazol-5-ylmethyl)-3-oxopiperazine-1-carboxamide
CID 97269808
butyl 2-[1-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54823128
3-ethyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 63602080

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(dimethylcarbamoyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2S)-N-[3-(dimethylcarbamoyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide (CID 95979462) is (2S)-N-[3-(dimethylcarbamoyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2S)-N-[3-(dimethylcarbamoyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2S)-N-[3-(dimethylcarbamoyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide is CC[C@H]1C(=O)NCCN1C(=O)Nc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of (2S)-N-[3-(dimethylcarbamoyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide?
The InChIKey is JAJOJAUGGLMABM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-4-13-14(21)17-8-9-20(13)16(23)18-12-7-5-6-11(10-12)15(22)19(2)3/h5-7,10,13H,4,8-9H2,1-3H3,(H,17,21)(H,18,23)/t13-/m0/s1.
What are the key properties of (2S)-N-[3-(dimethylcarbamoyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide?
(2S)-N-[3-(dimethylcarbamoyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(dimethylcarbamoyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 95979462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).