1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide

C15H20ClN3O2 — CID 81315811

IUPAC1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCc1cc(Cl)cc(C(=O)N2CCNCC2C(=O)N(C)C)c1
InChIInChI=1S/C15H20ClN3O2/c1-10-6-11(8-12(16)7-10)14(20)19-5-4-17-9-13(19)15(21)18(2)3/h6-8,13,17H,4-5,9H2,1-3H3
InChIKeyXIJVLCRIYFQUPU-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.15
Rot. Bonds2

About 1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide

1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 81315811) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
PubChem CID81315811
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCc1cc(Cl)cc(C(=O)N2CCNCC2C(=O)N(C)C)c1
InChIInChI=1S/C15H20ClN3O2/c1-10-6-11(8-12(16)7-10)14(20)19-5-4-17-9-13(19)15(21)18(2)3/h6-8,13,17H,4-5,9H2,1-3H3
InChIKeyXIJVLCRIYFQUPU-UHFFFAOYSA-N
XLogP1.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide
CID 114822004
1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 107672122
(2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide
CID 95804037
1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide
CID 115999662
1-[(3-chloro-5-fluorophenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide
CID 114453785
[2-(aminomethyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 113415445
methyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
CID 80975441
1-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethylpiperazine-2-carboxamide
CID 79427851
1-(3-methoxythiophene-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
CID 81118721
3-chloro-N,5-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627859
(3,5-dichlorophenyl)-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone
CID 22342799
(3,5-dichlorophenyl)-[(2R)-2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone
CID 54173008

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of 1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide (CID 81315811) is 1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide is Cc1cc(Cl)cc(C(=O)N2CCNCC2C(=O)N(C)C)c1.
What is the InChIKey of 1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is XIJVLCRIYFQUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-10-6-11(8-12(16)7-10)14(20)19-5-4-17-9-13(19)15(21)18(2)3/h6-8,13,17H,4-5,9H2,1-3H3.
What are the key properties of 1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide?
1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 81315811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).