(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide

C19H29N3O — CID 2410459

IUPAC(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
SMILESC[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O/c1-16(19(23)20-18-9-5-6-10-18)22-13-11-21(12-14-22)15-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyGDUJMGMGOGAWPE-INIZCTEOSA-N
MW315.46 g/mol
LogP2.25
Rot. Bonds5

About (2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide

(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide (PubChem CID 2410459) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
PubChem CID2410459
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
SMILESC[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O/c1-16(19(23)20-18-9-5-6-10-18)22-13-11-21(12-14-22)15-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyGDUJMGMGOGAWPE-INIZCTEOSA-N
XLogP2.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 9389740
2-(4-benzyl-1,4-diazepan-1-yl)-N-(cyclohexylcarbamoyl)propanamide
CID 55511454
(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266173
N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 18088721
2-(4-benzylpiperazin-1-yl)propanehydrazide
CID 63569395
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51301703
N-(1-benzylpiperidin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47020366
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
CID 1439293
1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide
CID 119034158
(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46514218

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide?
The IUPAC name of (2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide (CID 2410459) is (2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide.
What is the SMILES notation for (2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide?
The canonical SMILES for (2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide is C[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide?
The InChIKey is GDUJMGMGOGAWPE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N3O/c1-16(19(23)20-18-9-5-6-10-18)22-13-11-21(12-14-22)15-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide?
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide has a molecular weight of 315.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide is sourced from PubChem (CID 2410459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).