N,1-dimethyl-4-(4-methylbenzoyl)piperazine-2-carboxamide

C15H21N3O2 — CID 121451737

IUPACN,1-dimethyl-4-(4-methylbenzoyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2ccc(C)cc2)CCN1C
InChIInChI=1S/C15H21N3O2/c1-11-4-6-12(7-5-11)15(20)18-9-8-17(3)13(10-18)14(19)16-2/h4-7,13H,8-10H2,1-3H3,(H,16,19)
InChIKeyBNLGKIBCDNYYBA-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.50
Rot. Bonds2

About N,1-dimethyl-4-(4-methylbenzoyl)piperazine-2-carboxamide

N,1-dimethyl-4-(4-methylbenzoyl)piperazine-2-carboxamide (PubChem CID 121451737) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N,1-dimethyl-4-(4-methylbenzoyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-(4-methylbenzoyl)piperazine-2-carboxamide
PubChem CID121451737
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN,1-dimethyl-4-(4-methylbenzoyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2ccc(C)cc2)CCN1C
InChIInChI=1S/C15H21N3O2/c1-11-4-6-12(7-5-11)15(20)18-9-8-17(3)13(10-18)14(19)16-2/h4-7,13H,8-10H2,1-3H3,(H,16,19)
InChIKeyBNLGKIBCDNYYBA-UHFFFAOYSA-N
XLogP0.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124993020
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
4-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-N,1-dimethylpiperazine-2-carboxamide
CID 110086497
(2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide
CID 125017209
(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone
CID 121451670
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593
(2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124982197
1-acetyl-4-(4-methylbenzoyl)-1,4-diazepane-6-carboxamide
CID 110107413
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
(2S)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124982198
(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
CID 82285874

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-(4-methylbenzoyl)piperazine-2-carboxamide?
The IUPAC name of N,1-dimethyl-4-(4-methylbenzoyl)piperazine-2-carboxamide (CID 121451737) is N,1-dimethyl-4-(4-methylbenzoyl)piperazine-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-(4-methylbenzoyl)piperazine-2-carboxamide?
The canonical SMILES for N,1-dimethyl-4-(4-methylbenzoyl)piperazine-2-carboxamide is CNC(=O)C1CN(C(=O)c2ccc(C)cc2)CCN1C.
What is the InChIKey of N,1-dimethyl-4-(4-methylbenzoyl)piperazine-2-carboxamide?
The InChIKey is BNLGKIBCDNYYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-4-6-12(7-5-11)15(20)18-9-8-17(3)13(10-18)14(19)16-2/h4-7,13H,8-10H2,1-3H3,(H,16,19).
What are the key properties of N,1-dimethyl-4-(4-methylbenzoyl)piperazine-2-carboxamide?
N,1-dimethyl-4-(4-methylbenzoyl)piperazine-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-(4-methylbenzoyl)piperazine-2-carboxamide is sourced from PubChem (CID 121451737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).