1-(2-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide

C19H28ClN3O — CID 110438466

IUPAC1-(2-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
SMILESCCN1CCN(CCCNC(=O)C2(c3ccccc3Cl)CC2)CC1
InChIInChI=1S/C19H28ClN3O/c1-2-22-12-14-23(15-13-22)11-5-10-21-18(24)19(8-9-19)16-6-3-4-7-17(16)20/h3-4,6-7H,2,5,8-15H2,1H3,(H,21,24)
InChIKeyXVKUTKJNAQLOAI-UHFFFAOYSA-N
MW349.91 g/mol
LogP2.52
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide

1-(2-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide (PubChem CID 110438466) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
PubChem CID110438466
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC Name1-(2-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
SMILESCCN1CCN(CCCNC(=O)C2(c3ccccc3Cl)CC2)CC1
InChIInChI=1S/C19H28ClN3O/c1-2-22-12-14-23(15-13-22)11-5-10-21-18(24)19(8-9-19)16-6-3-4-7-17(16)20/h3-4,6-7H,2,5,8-15H2,1H3,(H,21,24)
InChIKeyXVKUTKJNAQLOAI-UHFFFAOYSA-N
XLogP2.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 52.52
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-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide
CID 86985105
1-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide
CID 110438464
1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide
CID 110437610
2-chloro-N-[(2S)-1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51941916
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 47029242
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 16673287
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
CID 119901973
1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
CID 119393727
3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442007
2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 55660052

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide (CID 110438466) is 1-(2-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide is CCN1CCN(CCCNC(=O)C2(c3ccccc3Cl)CC2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide?
The InChIKey is XVKUTKJNAQLOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O/c1-2-22-12-14-23(15-13-22)11-5-10-21-18(24)19(8-9-19)16-6-3-4-7-17(16)20/h3-4,6-7H,2,5,8-15H2,1H3,(H,21,24).
What are the key properties of 1-(2-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide?
1-(2-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide has a molecular weight of 349.91 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 110438466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).