N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-cyclopentylpropanamide

C20H30ClN3O — CID 24882532

IUPACN-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-cyclopentylpropanamide
SMILESCCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1
InChIInChI=1S/C20H30ClN3O/c1-2-23-11-13-24(14-12-23)19-9-8-17(15-18(19)21)22-20(25)10-7-16-5-3-4-6-16/h8-9,15-16H,2-7,10-14H2,1H3,(H,22,25)
InChIKeyIWSOFJPLHFSLJW-UHFFFAOYSA-N
MW363.93 g/mol
LogP4.39
Rot. Bonds6

About N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-cyclopentylpropanamide

N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-cyclopentylpropanamide (PubChem CID 24882532) has the molecular formula C20H30ClN3O and a molecular weight of 363.93 g/mol. Its IUPAC name is N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-cyclopentylpropanamide
PubChem CID24882532
Molecular FormulaC20H30ClN3O
Molecular Weight363.93 g/mol
Exact Mass363.21
IUPAC NameN-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-cyclopentylpropanamide
SMILESCCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1
InChIInChI=1S/C20H30ClN3O/c1-2-23-11-13-24(14-12-23)19-9-8-17(15-18(19)21)22-20(25)10-7-16-5-3-4-6-16/h8-9,15-16H,2-7,10-14H2,1H3,(H,22,25)
InChIKeyIWSOFJPLHFSLJW-UHFFFAOYSA-N
XLogP4.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-cyclopentylpropanamide?
The IUPAC name of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-cyclopentylpropanamide (CID 24882532) is N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-cyclopentylpropanamide is CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1.
What is the InChIKey of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-cyclopentylpropanamide?
The InChIKey is IWSOFJPLHFSLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O/c1-2-23-11-13-24(14-12-23)19-9-8-17(15-18(19)21)22-20(25)10-7-16-5-3-4-6-16/h8-9,15-16H,2-7,10-14H2,1H3,(H,22,25).
What are the key properties of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-cyclopentylpropanamide?
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-cyclopentylpropanamide has a molecular weight of 363.93 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-cyclopentylpropanamide is sourced from PubChem (CID 24882532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).