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

C20H31N3O — CID 51613241

IUPAC(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
SMILESC[C@@H](C(=O)NC1CCCCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H31N3O/c1-17(20(24)21-19-10-6-3-7-11-19)23-14-12-22(13-15-23)16-18-8-4-2-5-9-18/h2,4-5,8-9,17,19H,3,6-7,10-16H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyFKFYCVUVISLQNP-KRWDZBQOSA-N
MW329.49 g/mol
LogP2.64
Rot. Bonds5

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

(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide (PubChem CID 51613241) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is (2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
PubChem CID51613241
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
SMILESC[C@@H](C(=O)NC1CCCCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H31N3O/c1-17(20(24)21-19-10-6-3-7-11-19)23-14-12-22(13-15-23)16-18-8-4-2-5-9-18/h2,4-5,8-9,17,19H,3,6-7,10-16H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyFKFYCVUVISLQNP-KRWDZBQOSA-N
XLogP2.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
2-(4-benzyl-1,4-diazepan-1-yl)-N-(cyclohexylcarbamoyl)propanamide
CID 55511454
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 9389740
(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
(2S)-N-(cyclohexylcarbamoyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9257137
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide?
The IUPAC name of (2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide (CID 51613241) is (2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide.
What is the SMILES notation for (2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide?
The canonical SMILES for (2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide is C[C@@H](C(=O)NC1CCCCC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide?
The InChIKey is FKFYCVUVISLQNP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H31N3O/c1-17(20(24)21-19-10-6-3-7-11-19)23-14-12-22(13-15-23)16-18-8-4-2-5-9-18/h2,4-5,8-9,17,19H,3,6-7,10-16H2,1H3,(H,21,24)/t17-/m0/s1.
What are the key properties of (2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide?
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide has a molecular weight of 329.49 g/mol, XLogP of 2.64, 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-cyclohexylpropanamide is sourced from PubChem (CID 51613241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).