N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide

C22H34N4O2 — CID 112818881

IUPACN-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide
SMILESCC(NC(=O)C(C)N1CCN(C(=O)NC2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C22H34N4O2/c1-17(19-9-5-3-6-10-19)23-21(27)18(2)25-13-15-26(16-14-25)22(28)24-20-11-7-4-8-12-20/h3,5-6,9-10,17-18,20H,4,7-8,11-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyIXSCKWYQRZKAMF-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.91
Rot. Bonds5

About N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide

N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide (PubChem CID 112818881) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide
PubChem CID112818881
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide
SMILESCC(NC(=O)C(C)N1CCN(C(=O)NC2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C22H34N4O2/c1-17(19-9-5-3-6-10-19)23-21(27)18(2)25-13-15-26(16-14-25)22(28)24-20-11-7-4-8-12-20/h3,5-6,9-10,17-18,20H,4,7-8,11-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyIXSCKWYQRZKAMF-UHFFFAOYSA-N
XLogP2.91
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]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

N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
CID 46697935
2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride
CID 119920377
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide
CID 46027235
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 75810047
2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800680
4-[(4-chlorophenyl)-phenylmethyl]-N-cyclopentylpiperazine-1-carboxamide
CID 46100874
(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250310
2-morpholin-4-yl-N-(1-phenylethyl)propanamide
CID 42913456
(2R)-2-morpholin-4-yl-N-[(1S)-1-phenylethyl]propanamide
CID 27067773
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116
N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide
CID 55544187

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide (CID 112818881) is N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide is CC(NC(=O)C(C)N1CCN(C(=O)NC2CCCCC2)CC1)c1ccccc1.
What is the InChIKey of N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide?
The InChIKey is IXSCKWYQRZKAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-17(19-9-5-3-6-10-19)23-21(27)18(2)25-13-15-26(16-14-25)22(28)24-20-11-7-4-8-12-20/h3,5-6,9-10,17-18,20H,4,7-8,11-16H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide?
N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 112818881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).