4-benzoyl-N,N-dimethylpiperazine-1-carboxamide

C14H19N3O2 — CID 1121209

IUPAC4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C14H19N3O2/c1-15(2)14(19)17-10-8-16(9-11-17)13(18)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyBSCLQXYPSGXJTQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.13
Rot. Bonds1

About 4-benzoyl-N,N-dimethylpiperazine-1-carboxamide

4-benzoyl-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 1121209) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-benzoyl-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
PubChem CID1121209
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C14H19N3O2/c1-15(2)14(19)17-10-8-16(9-11-17)13(18)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyBSCLQXYPSGXJTQ-UHFFFAOYSA-N
XLogP1.13
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide
CID 71920561
4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38724570
N,N-dimethyl-4-(2-sulfanylbenzoyl)piperazine-1-carboxamide
CID 108569403
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 134070067
(4-aminopiperazin-1-yl)-phenylmethanone
CID 12554633
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea
CID 110397809
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-benzoyl-N,N-dimethylpiperazine-1-carboxamide (CID 1121209) is 4-benzoyl-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-benzoyl-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-benzoyl-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 4-benzoyl-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is BSCLQXYPSGXJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15(2)14(19)17-10-8-16(9-11-17)13(18)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3.
What are the key properties of 4-benzoyl-N,N-dimethylpiperazine-1-carboxamide?
4-benzoyl-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 1121209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).