N,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide

C16H23N3O2 — CID 110657229

IUPACN,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCNC(=O)C1c1ccccc1C
InChIInChI=1S/C16H23N3O2/c1-4-18(5-2)16(21)19-11-10-17-15(20)14(19)13-9-7-6-8-12(13)3/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,20)
InChIKeyGENSUDCWGVLCIZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.93
Rot. Bonds3

About N,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide

N,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide (PubChem CID 110657229) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide
PubChem CID110657229
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCNC(=O)C1c1ccccc1C
InChIInChI=1S/C16H23N3O2/c1-4-18(5-2)16(21)19-11-10-17-15(20)14(19)13-9-7-6-8-12(13)3/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,20)
InChIKeyGENSUDCWGVLCIZ-UHFFFAOYSA-N
XLogP1.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylphenyl)-4-propanoylpiperazin-2-one
CID 110657143
4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657157
3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one
CID 110657182
4-(3,3-dimethylbutanoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657246
4-(2-bromobenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657163
4-(adamantane-1-carbonyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657233
4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657161
4-(2H-benzotriazole-4-carbonyl)-3-(2-methylphenyl)piperazin-2-one
CID 86804542
4-butanoyl-3-(2-chlorophenyl)piperazin-2-one
CID 110657325
4-methyl-N-[3-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 154849349
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
N-[1-[2-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide
CID 166320676

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide (CID 110657229) is N,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide is CCN(CC)C(=O)N1CCNC(=O)C1c1ccccc1C.
What is the InChIKey of N,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide?
The InChIKey is GENSUDCWGVLCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-18(5-2)16(21)19-11-10-17-15(20)14(19)13-9-7-6-8-12(13)3/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,20).
What are the key properties of N,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide?
N,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 110657229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).