N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide

C19H30N4O — CID 15636959

IUPACN-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide
SMILESCCN1CCCCC(NC(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C19H30N4O/c1-2-21-11-7-6-8-17(16-21)20-19(24)23-14-12-22(13-15-23)18-9-4-3-5-10-18/h3-5,9-10,17H,2,6-8,11-16H2,1H3,(H,20,24)
InChIKeySAQGZGBSJGLPPS-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.39
Rot. Bonds3

About N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide

N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide (PubChem CID 15636959) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide
PubChem CID15636959
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide
SMILESCCN1CCCCC(NC(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C19H30N4O/c1-2-21-11-7-6-8-17(16-21)20-19(24)23-14-12-22(13-15-23)18-9-4-3-5-10-18/h3-5,9-10,17H,2,6-8,11-16H2,1H3,(H,20,24)
InChIKeySAQGZGBSJGLPPS-UHFFFAOYSA-N
XLogP2.39
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-ethylazepan-3-yl)-4-phenylpiperazine-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

N-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide
CID 15636958
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52902639
N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide
CID 116653618
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenylpiperidin-4-yl)piperazine-1-carboxamide
CID 86831167
(2R)-2-amino-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide
CID 61169816
2-anilino-N-(1-ethylpiperidin-3-yl)acetamide
CID 61171381
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
N-[(3S)-1,1-dioxothiolan-3-yl]-4-phenylpiperazine-1-carboxamide
CID 94017270

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide (CID 15636959) is N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide is CCN1CCCCC(NC(=O)N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide?
The InChIKey is SAQGZGBSJGLPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-2-21-11-7-6-8-17(16-21)20-19(24)23-14-12-22(13-15-23)18-9-4-3-5-10-18/h3-5,9-10,17H,2,6-8,11-16H2,1H3,(H,20,24).
What are the key properties of N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide?
N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 15636959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).