1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide

C15H21N3O3 — CID 107672122

IUPAC1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCc1cc(C(=O)N2CCNCC2C(=O)N(C)C)ccc1O
InChIInChI=1S/C15H21N3O3/c1-10-8-11(4-5-13(10)19)14(20)18-7-6-16-9-12(18)15(21)17(2)3/h4-5,8,12,16,19H,6-7,9H2,1-3H3
InChIKeyGXHBHIGGVAZMLB-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.20
Rot. Bonds2

About 1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide

1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 107672122) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
PubChem CID107672122
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCc1cc(C(=O)N2CCNCC2C(=O)N(C)C)ccc1O
InChIInChI=1S/C15H21N3O3/c1-10-8-11(4-5-13(10)19)14(20)18-7-6-16-9-12(18)15(21)17(2)3/h4-5,8,12,16,19H,6-7,9H2,1-3H3
InChIKeyGXHBHIGGVAZMLB-UHFFFAOYSA-N
XLogP0.20
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide
CID 114822004
1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 81315811
1-(3,4-dihydroxybenzoyl)piperazine-2-carboxamide
CID 107728749
[1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56891026
(4-hydroxy-3-methylphenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
CID 107675736
(2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide
CID 95804037
1-(3-methoxythiophene-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
CID 81118721
methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
CID 103957429
(2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951831
1-[1-(2,6-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide
CID 107711438
N,N-dimethyl-1-(5-oxopyrrolidine-3-carbonyl)piperazine-2-carboxamide
CID 83191600
1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 167765690

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of 1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide (CID 107672122) is 1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide is Cc1cc(C(=O)N2CCNCC2C(=O)N(C)C)ccc1O.
What is the InChIKey of 1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is GXHBHIGGVAZMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-8-11(4-5-13(10)19)14(20)18-7-6-16-9-12(18)15(21)17(2)3/h4-5,8,12,16,19H,6-7,9H2,1-3H3.
What are the key properties of 1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide?
1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 107672122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).