N-cyclopentyl-2-[4-(2-methyl-3-phenylsulfanylpropanoyl)piperazin-1-yl]propanamide

C22H33N3O2S — CID 86935347

IUPACN-cyclopentyl-2-[4-(2-methyl-3-phenylsulfanylpropanoyl)piperazin-1-yl]propanamide
SMILESCC(CSc1ccccc1)C(=O)N1CCN(C(C)C(=O)NC2CCCC2)CC1
InChIInChI=1S/C22H33N3O2S/c1-17(16-28-20-10-4-3-5-11-20)22(27)25-14-12-24(13-15-25)18(2)21(26)23-19-8-6-7-9-19/h3-5,10-11,17-19H,6-9,12-16H2,1-2H3,(H,23,26)
InChIKeyPEPJZGQMSUKCEI-UHFFFAOYSA-N
MW403.59 g/mol
LogP3.01
Rot. Bonds7

About N-cyclopentyl-2-[4-(2-methyl-3-phenylsulfanylpropanoyl)piperazin-1-yl]propanamide

N-cyclopentyl-2-[4-(2-methyl-3-phenylsulfanylpropanoyl)piperazin-1-yl]propanamide (PubChem CID 86935347) has the molecular formula C22H33N3O2S and a molecular weight of 403.59 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(2-methyl-3-phenylsulfanylpropanoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(2-methyl-3-phenylsulfanylpropanoyl)piperazin-1-yl]propanamide
PubChem CID86935347
Molecular FormulaC22H33N3O2S
Molecular Weight403.59 g/mol
Exact Mass403.23
IUPAC NameN-cyclopentyl-2-[4-(2-methyl-3-phenylsulfanylpropanoyl)piperazin-1-yl]propanamide
SMILESCC(CSc1ccccc1)C(=O)N1CCN(C(C)C(=O)NC2CCCC2)CC1
InChIInChI=1S/C22H33N3O2S/c1-17(16-28-20-10-4-3-5-11-20)22(27)25-14-12-24(13-15-25)18(2)21(26)23-19-8-6-7-9-19/h3-5,10-11,17-19H,6-9,12-16H2,1-2H3,(H,23,26)
InChIKeyPEPJZGQMSUKCEI-UHFFFAOYSA-N
XLogP3.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.59
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-2-[4-(2-methyl-3-phenylsulfanylpropanoyl)piperazin-1-yl]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

(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
2-(4-acetylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 123939055
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
2-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839037
N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide
CID 112818881
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 119877479
(2S)-1-[(3S)-3-aminopiperidin-1-yl]-2-methyl-3-phenylsulfanylpropan-1-one
CID 124594002
N-(4-hydroxycyclohexyl)-2-methyl-3-phenylsulfanylpropanamide
CID 111113203
N-cyclopentyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propanamide
CID 55574544
N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
CID 46697935
N-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide
CID 51329075
(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250310

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(2-methyl-3-phenylsulfanylpropanoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopentyl-2-[4-(2-methyl-3-phenylsulfanylpropanoyl)piperazin-1-yl]propanamide (CID 86935347) is N-cyclopentyl-2-[4-(2-methyl-3-phenylsulfanylpropanoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(2-methyl-3-phenylsulfanylpropanoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[4-(2-methyl-3-phenylsulfanylpropanoyl)piperazin-1-yl]propanamide is CC(CSc1ccccc1)C(=O)N1CCN(C(C)C(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-2-[4-(2-methyl-3-phenylsulfanylpropanoyl)piperazin-1-yl]propanamide?
The InChIKey is PEPJZGQMSUKCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2S/c1-17(16-28-20-10-4-3-5-11-20)22(27)25-14-12-24(13-15-25)18(2)21(26)23-19-8-6-7-9-19/h3-5,10-11,17-19H,6-9,12-16H2,1-2H3,(H,23,26).
What are the key properties of N-cyclopentyl-2-[4-(2-methyl-3-phenylsulfanylpropanoyl)piperazin-1-yl]propanamide?
N-cyclopentyl-2-[4-(2-methyl-3-phenylsulfanylpropanoyl)piperazin-1-yl]propanamide has a molecular weight of 403.59 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(2-methyl-3-phenylsulfanylpropanoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 86935347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).