4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide

C15H23N3O — CID 3746757

IUPAC4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ccc(C)cc2C)CC1
InChIInChI=1S/C15H23N3O/c1-4-16-15(19)18-9-7-17(8-10-18)14-6-5-12(2)11-13(14)3/h5-6,11H,4,7-10H2,1-3H3,(H,16,19)
InChIKeyVWTWOMVLSFRGJL-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.15
Rot. Bonds2

About 4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide

4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide (PubChem CID 3746757) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide
PubChem CID3746757
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ccc(C)cc2C)CC1
InChIInChI=1S/C15H23N3O/c1-4-16-15(19)18-9-7-17(8-10-18)14-6-5-12(2)11-13(14)3/h5-6,11H,4,7-10H2,1-3H3,(H,16,19)
InChIKeyVWTWOMVLSFRGJL-UHFFFAOYSA-N
XLogP2.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106748
4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108721
N-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113107799
N-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113075398
4-(2,4-dimethylphenyl)-N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]piperazine-1-carboxamide
CID 126435165
4-(2,4-dimethylphenyl)-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]piperazine-1-carboxamide
CID 126435166
2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone
CID 4741095
4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104070
4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110710
4-(2,4-dimethylphenyl)-N-(3-iodophenyl)piperazine-1-carboxamide
CID 3768941
(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075364
N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113104332

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide (CID 3746757) is 4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(c2ccc(C)cc2C)CC1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is VWTWOMVLSFRGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-16-15(19)18-9-7-17(8-10-18)14-6-5-12(2)11-13(14)3/h5-6,11H,4,7-10H2,1-3H3,(H,16,19).
What are the key properties of 4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide?
4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 3746757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).