(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide

C19H28ClN3O — CID 9389740

IUPAC(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide
SMILESC[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H28ClN3O/c1-15(19(24)21-18-4-2-3-5-18)23-12-10-22(11-13-23)14-16-6-8-17(20)9-7-16/h6-9,15,18H,2-5,10-14H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyTZZNBZXQYLIPLO-HNNXBMFYSA-N
MW349.91 g/mol
LogP2.90
Rot. Bonds5

About (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide

(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide (PubChem CID 9389740) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide
PubChem CID9389740
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC Name(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide
SMILESC[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H28ClN3O/c1-15(19(24)21-18-4-2-3-5-18)23-12-10-22(11-13-23)14-16-6-8-17(20)9-7-16/h6-9,15,18H,2-5,10-14H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyTZZNBZXQYLIPLO-HNNXBMFYSA-N
XLogP2.90
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266173
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 9389745
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
2-(4-benzyl-1,4-diazepan-1-yl)-N-(cyclohexylcarbamoyl)propanamide
CID 55511454
N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 18088721
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentylpropanamide
CID 50983445
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51325438
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46700299
(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51301703

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide?
The IUPAC name of (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide (CID 9389740) is (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide.
What is the SMILES notation for (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide?
The canonical SMILES for (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide is C[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide?
The InChIKey is TZZNBZXQYLIPLO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28ClN3O/c1-15(19(24)21-18-4-2-3-5-18)23-12-10-22(11-13-23)14-16-6-8-17(20)9-7-16/h6-9,15,18H,2-5,10-14H2,1H3,(H,21,24)/t15-/m0/s1.
What are the key properties of (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide?
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide has a molecular weight of 349.91 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide is sourced from PubChem (CID 9389740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).