4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide

C19H27N3O2 — CID 119068329

IUPAC4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide
SMILESCC(CNC(=O)N1CCN(C(=O)C2CCC2)CC1)c1ccccc1
InChIInChI=1S/C19H27N3O2/c1-15(16-6-3-2-4-7-16)14-20-19(24)22-12-10-21(11-13-22)18(23)17-8-5-9-17/h2-4,6-7,15,17H,5,8-14H2,1H3,(H,20,24)
InChIKeyTYLKJBVQHYFGOC-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.44
Rot. Bonds4

About 4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide

4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide (PubChem CID 119068329) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide
PubChem CID119068329
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide
SMILESCC(CNC(=O)N1CCN(C(=O)C2CCC2)CC1)c1ccccc1
InChIInChI=1S/C19H27N3O2/c1-15(16-6-3-2-4-7-16)14-20-19(24)22-12-10-21(11-13-22)18(23)17-8-5-9-17/h2-4,6-7,15,17H,5,8-14H2,1H3,(H,20,24)
InChIKeyTYLKJBVQHYFGOC-UHFFFAOYSA-N
XLogP2.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)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-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104592009
(3S)-1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104591978
cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone
CID 43434778
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 113073983
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide
CID 42508142
4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819080
[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883905
(3S)-N-(2-phenylpropyl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889923
N-(2-phenylpropyl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 48508752
(4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone
CID 795735
4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 84528878
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836509

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide (CID 119068329) is 4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide is CC(CNC(=O)N1CCN(C(=O)C2CCC2)CC1)c1ccccc1.
What is the InChIKey of 4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is TYLKJBVQHYFGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15(16-6-3-2-4-7-16)14-20-19(24)22-12-10-21(11-13-22)18(23)17-8-5-9-17/h2-4,6-7,15,17H,5,8-14H2,1H3,(H,20,24).
What are the key properties of 4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide?
4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 119068329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).