4-(2-ethylphenyl)piperazine-1-carboxamide

C13H19N3O — CID 70281213

IUPAC4-(2-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccccc1N1CCN(C(N)=O)CC1
InChIInChI=1S/C13H19N3O/c1-2-11-5-3-4-6-12(11)15-7-9-16(10-8-15)13(14)17/h3-6H,2,7-10H2,1H3,(H2,14,17)
InChIKeyAOQDOULMSIILGD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.45
Rot. Bonds2

About 4-(2-ethylphenyl)piperazine-1-carboxamide

4-(2-ethylphenyl)piperazine-1-carboxamide (PubChem CID 70281213) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(2-ethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethylphenyl)piperazine-1-carboxamide
PubChem CID70281213
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-(2-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccccc1N1CCN(C(N)=O)CC1
InChIInChI=1S/C13H19N3O/c1-2-11-5-3-4-6-12(11)15-7-9-16(10-8-15)13(14)17/h3-6H,2,7-10H2,1H3,(H2,14,17)
InChIKeyAOQDOULMSIILGD-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-ethylphenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-ethylphenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 113075819
(3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone
CID 113075800
4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107645
4-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113111996
1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone
CID 113076338
[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
[4-(2-ethylphenyl)piperazin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 74249829
2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399464
2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one
CID 54868660
2-(4-acetylpiperazin-1-yl)benzenesulfonamide
CID 166232580
4-(2-ethyl-6-methylanilino)piperidine-1-carboxamide
CID 54862221

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-ethylphenyl)piperazine-1-carboxamide (CID 70281213) is 4-(2-ethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-ethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-ethylphenyl)piperazine-1-carboxamide is CCc1ccccc1N1CCN(C(N)=O)CC1.
What is the InChIKey of 4-(2-ethylphenyl)piperazine-1-carboxamide?
The InChIKey is AOQDOULMSIILGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-11-5-3-4-6-12(11)15-7-9-16(10-8-15)13(14)17/h3-6H,2,7-10H2,1H3,(H2,14,17).
What are the key properties of 4-(2-ethylphenyl)piperazine-1-carboxamide?
4-(2-ethylphenyl)piperazine-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 70281213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).