N-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide

C16H23N3O — CID 113075398

IUPACN-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)NC3CC3)CC2)c(C)c1
InChIInChI=1S/C16H23N3O/c1-12-3-6-15(13(2)11-12)18-7-9-19(10-8-18)16(20)17-14-4-5-14/h3,6,11,14H,4-5,7-10H2,1-2H3,(H,17,20)
InChIKeySODOSQDLDMROAO-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.30
Rot. Bonds2

About N-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide

N-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 113075398) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
PubChem CID113075398
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)NC3CC3)CC2)c(C)c1
InChIInChI=1S/C16H23N3O/c1-12-3-6-15(13(2)11-12)18-7-9-19(10-8-18)16(20)17-14-4-5-14/h3,6,11,14H,4-5,7-10H2,1-2H3,(H,17,20)
InChIKeySODOSQDLDMROAO-UHFFFAOYSA-N
XLogP2.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide
CID 3746757
N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113075647
N-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide
CID 113080706
N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide
CID 110812326
N-cyclopropyl-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 47127245
4-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025142
4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106748
2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone
CID 4741095
4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108721
N-cyclopentyl-4-[2-(2,4-dimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813824
4-(2,4-dimethylphenyl)-N-(3-iodophenyl)piperazine-1-carboxamide
CID 3768941
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 23934790

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide (CID 113075398) is N-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide is Cc1ccc(N2CCN(C(=O)NC3CC3)CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is SODOSQDLDMROAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-3-6-15(13(2)11-12)18-7-9-19(10-8-18)16(20)17-14-4-5-14/h3,6,11,14H,4-5,7-10H2,1-2H3,(H,17,20).
What are the key properties of N-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide?
N-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113075398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).