[1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone

C18H22ClN3O — CID 113210923

IUPAC[1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2(c3c[nH]c4ccc(Cl)cc34)CC2)CC1
InChIInChI=1S/C18H22ClN3O/c1-2-21-7-9-22(10-8-21)17(23)18(5-6-18)15-12-20-16-4-3-13(19)11-14(15)16/h3-4,11-12,20H,2,5-10H2,1H3
InChIKeyDJFXQDFWBMSALX-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.02
Rot. Bonds3

About [1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone

[1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 113210923) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is [1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID113210923
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name[1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2(c3c[nH]c4ccc(Cl)cc34)CC2)CC1
InChIInChI=1S/C18H22ClN3O/c1-2-21-7-9-22(10-8-21)17(23)18(5-6-18)15-12-20-16-4-3-13(19)11-14(15)16/h3-4,11-12,20H,2,5-10H2,1H3
InChIKeyDJFXQDFWBMSALX-UHFFFAOYSA-N
XLogP3.02
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 113209136
4-[1-(5-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
CID 113210567
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methanone
CID 113210788
1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 113210934
[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 113210608
[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113210609
5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole
CID 139229716
1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 113211034
1-(5-chloro-1H-indol-3-yl)-N-cycloheptylcyclopropane-1-carboxamide
CID 113210973
1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211000
1-(5-chloro-1H-indol-3-yl)-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 113211006
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide
CID 113085126

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone (CID 113210923) is [1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)C2(c3c[nH]c4ccc(Cl)cc34)CC2)CC1.
What is the InChIKey of [1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is DJFXQDFWBMSALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-2-21-7-9-22(10-8-21)17(23)18(5-6-18)15-12-20-16-4-3-13(19)11-14(15)16/h3-4,11-12,20H,2,5-10H2,1H3.
What are the key properties of [1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone?
[1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 331.85 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 113210923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).