2-[(2-cyclohexylacetyl)amino]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]propanamide

C24H36N4O3 — CID 60615120

IUPAC2-[(2-cyclohexylacetyl)amino]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]propanamide
SMILESCC(NC(=O)CC1CCCCC1)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H36N4O3/c1-19(26-22(29)18-20-8-4-2-5-9-20)24(31)25-13-12-23(30)28-16-14-27(15-17-28)21-10-6-3-7-11-21/h3,6-7,10-11,19-20H,2,4-5,8-9,12-18H2,1H3,(H,25,31)(H,26,29)
InChIKeyOWIUEHOGKRBTDF-UHFFFAOYSA-N
MW428.58 g/mol
LogP2.32
Rot. Bonds8

About 2-[(2-cyclohexylacetyl)amino]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]propanamide

2-[(2-cyclohexylacetyl)amino]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]propanamide (PubChem CID 60615120) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-[(2-cyclohexylacetyl)amino]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-[(2-cyclohexylacetyl)amino]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]propanamide
PubChem CID60615120
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC Name2-[(2-cyclohexylacetyl)amino]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]propanamide
SMILESCC(NC(=O)CC1CCCCC1)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H36N4O3/c1-19(26-22(29)18-20-8-4-2-5-9-20)24(31)25-13-12-23(30)28-16-14-27(15-17-28)21-10-6-3-7-11-21/h3,6-7,10-11,19-20H,2,4-5,8-9,12-18H2,1H3,(H,25,31)(H,26,29)
InChIKeyOWIUEHOGKRBTDF-UHFFFAOYSA-N
XLogP2.32
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-cyclohexylacetyl)amino]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]propanamide 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

2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
(2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide
CID 95305329
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52902639
4-[2-[2-[(2-cyclohexylacetyl)amino]propanoylamino]ethyl]benzoic acid
CID 119168621
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 60608501
3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 62831183
1-[(2S)-1-methoxypropan-2-yl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea
CID 95284102
6-[2-[(2-cyclohexylacetyl)amino]propanoylamino]hexanoic acid
CID 119219690
4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
CID 51097137
benzyl N-[(2S)-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propan-2-yl]carbamate
CID 18157233
2-[2-[(2-cyclohexylacetyl)amino]propanoylamino]-2-phenylbutanoic acid
CID 119201694
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 94975757

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexylacetyl)amino]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 2-[(2-cyclohexylacetyl)amino]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]propanamide (CID 60615120) is 2-[(2-cyclohexylacetyl)amino]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 2-[(2-cyclohexylacetyl)amino]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 2-[(2-cyclohexylacetyl)amino]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]propanamide is CC(NC(=O)CC1CCCCC1)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[(2-cyclohexylacetyl)amino]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]propanamide?
The InChIKey is OWIUEHOGKRBTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-19(26-22(29)18-20-8-4-2-5-9-20)24(31)25-13-12-23(30)28-16-14-27(15-17-28)21-10-6-3-7-11-21/h3,6-7,10-11,19-20H,2,4-5,8-9,12-18H2,1H3,(H,25,31)(H,26,29).
What are the key properties of 2-[(2-cyclohexylacetyl)amino]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]propanamide?
2-[(2-cyclohexylacetyl)amino]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]propanamide has a molecular weight of 428.58 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexylacetyl)amino]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 60615120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).