1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide

C20H30ClN3O — CID 86985105

IUPAC1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide
SMILESCCN1CCN(CCCCNC(=O)C2(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C20H30ClN3O/c1-2-23-13-15-24(16-14-23)12-4-3-11-22-19(25)20(9-10-20)17-5-7-18(21)8-6-17/h5-8H,2-4,9-16H2,1H3,(H,22,25)
InChIKeyGUTKCXIPYSOTOH-UHFFFAOYSA-N
MW363.93 g/mol
LogP2.91
Rot. Bonds8

About 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide (PubChem CID 86985105) has the molecular formula C20H30ClN3O and a molecular weight of 363.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide
PubChem CID86985105
Molecular FormulaC20H30ClN3O
Molecular Weight363.93 g/mol
Exact Mass363.21
IUPAC Name1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide
SMILESCCN1CCN(CCCCNC(=O)C2(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C20H30ClN3O/c1-2-23-13-15-24(16-14-23)12-4-3-11-22-19(25)20(9-10-20)17-5-7-18(21)8-6-17/h5-8H,2-4,9-16H2,1H3,(H,22,25)
InChIKeyGUTKCXIPYSOTOH-UHFFFAOYSA-N
XLogP2.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
CID 110438466
N-(2-aminoethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119382939
1-(4-fluorophenyl)-N-(3-piperazin-1-ylpropyl)cyclopropane-1-carboxamide
CID 119394382
1-(4-chlorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide
CID 124754889
1-(4-chlorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 55933195
(E)-3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]prop-2-enamide
CID 110440061
2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 47029242
3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442007
4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide
CID 55662734
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 29195577
1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide
CID 112558265

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide (CID 86985105) is 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide is CCN1CCN(CCCCNC(=O)C2(c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide?
The InChIKey is GUTKCXIPYSOTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O/c1-2-23-13-15-24(16-14-23)12-4-3-11-22-19(25)20(9-10-20)17-5-7-18(21)8-6-17/h5-8H,2-4,9-16H2,1H3,(H,22,25).
What are the key properties of 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide has a molecular weight of 363.93 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86985105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).