(2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide

C21H33N3O2 — CID 8997511

IUPAC(2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(C)cc1CN1CCN([C@@H](C)C(=O)NC2CCCC2)CC1
InChIInChI=1S/C21H33N3O2/c1-16-8-9-20(26-3)18(14-16)15-23-10-12-24(13-11-23)17(2)21(25)22-19-6-4-5-7-19/h8-9,14,17,19H,4-7,10-13,15H2,1-3H3,(H,22,25)/t17-/m0/s1
InChIKeyFRVMULZFBVPIIX-KRWDZBQOSA-N
MW359.51 g/mol
LogP2.57
Rot. Bonds6

About (2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide

(2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide (PubChem CID 8997511) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide
PubChem CID8997511
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name(2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(C)cc1CN1CCN([C@@H](C)C(=O)NC2CCCC2)CC1
InChIInChI=1S/C21H33N3O2/c1-16-8-9-20(26-3)18(14-16)15-23-10-12-24(13-11-23)17(2)21(25)22-19-6-4-5-7-19/h8-9,14,17,19H,4-7,10-13,15H2,1-3H3,(H,22,25)/t17-/m0/s1
InChIKeyFRVMULZFBVPIIX-KRWDZBQOSA-N
XLogP2.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]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

2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51325438
(2S)-N-ethyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 8997732
(2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8997506
(2R)-N-(cyclohexylcarbamoyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9436374
(2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 8997651
(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266173
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
N-[(1S)-1-cyclopropylethyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997868
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 17174343
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 9389740
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide (CID 8997511) is (2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide is COc1ccc(C)cc1CN1CCN([C@@H](C)C(=O)NC2CCCC2)CC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide?
The InChIKey is FRVMULZFBVPIIX-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-16-8-9-20(26-3)18(14-16)15-23-10-12-24(13-11-23)17(2)21(25)22-19-6-4-5-7-19/h8-9,14,17,19H,4-7,10-13,15H2,1-3H3,(H,22,25)/t17-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide?
(2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide has a molecular weight of 359.51 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 8997511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).