N-(3,4-dimethylphenyl)-N,1-dimethylpiperazine-2-carboxamide

C15H23N3O — CID 115177749

IUPACN-(3,4-dimethylphenyl)-N,1-dimethylpiperazine-2-carboxamide
SMILESCc1ccc(N(C)C(=O)C2CNCCN2C)cc1C
InChIInChI=1S/C15H23N3O/c1-11-5-6-13(9-12(11)2)18(4)15(19)14-10-16-7-8-17(14)3/h5-6,9,14,16H,7-8,10H2,1-4H3
InChIKeyPRUAVRFLRUWXHP-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.17
Rot. Bonds2

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

N-(3,4-dimethylphenyl)-N,1-dimethylpiperazine-2-carboxamide (PubChem CID 115177749) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N,1-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N,1-dimethylpiperazine-2-carboxamide
PubChem CID115177749
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(3,4-dimethylphenyl)-N,1-dimethylpiperazine-2-carboxamide
SMILESCc1ccc(N(C)C(=O)C2CNCCN2C)cc1C
InChIInChI=1S/C15H23N3O/c1-11-5-6-13(9-12(11)2)18(4)15(19)14-10-16-7-8-17(14)3/h5-6,9,14,16H,7-8,10H2,1-4H3
InChIKeyPRUAVRFLRUWXHP-UHFFFAOYSA-N
XLogP1.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-chloro-3-methylphenyl)-N,1-dimethylpyrrolidine-2-carboxamide;ethane
CID 159864395
N-methoxy-N,1-dimethylpiperazine-2-carboxamide
CID 58137843
(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919686
(3-methylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919749
(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone
CID 116919723
ethane;1-(1-methylpiperazin-2-yl)ethanone
CID 142036342
1-methylpiperazine-2-carboxylic acid;hydrochloride
CID 91989357
(3R,4S)-N-(3-chloro-4-methylphenyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120931783
N,1-dimethyl-N-(3-methylbutyl)piperazine-2-carboxamide
CID 115177823
1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 107672122
N-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine-2-carboxamide
CID 115177796
(2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 95442733

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N,1-dimethylpiperazine-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N,1-dimethylpiperazine-2-carboxamide (CID 115177749) is N-(3,4-dimethylphenyl)-N,1-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N,1-dimethylpiperazine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N,1-dimethylpiperazine-2-carboxamide is Cc1ccc(N(C)C(=O)C2CNCCN2C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N,1-dimethylpiperazine-2-carboxamide?
The InChIKey is PRUAVRFLRUWXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-5-6-13(9-12(11)2)18(4)15(19)14-10-16-7-8-17(14)3/h5-6,9,14,16H,7-8,10H2,1-4H3.
What are the key properties of N-(3,4-dimethylphenyl)-N,1-dimethylpiperazine-2-carboxamide?
N-(3,4-dimethylphenyl)-N,1-dimethylpiperazine-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N,1-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 115177749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).