cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone

C18H23N3O — CID 110602085

IUPACcyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H23N3O/c22-18(14-5-6-14)21-11-9-20(10-12-21)8-7-15-13-19-17-4-2-1-3-16(15)17/h1-4,13-14,19H,5-12H2
InChIKeyDSCGAIOJMXERPL-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.26
Rot. Bonds4

About cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone

cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 110602085) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
PubChem CID110602085
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Namecyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H23N3O/c22-18(14-5-6-14)21-11-9-20(10-12-21)8-7-15-13-19-17-4-2-1-3-16(15)17/h1-4,13-14,19H,5-12H2
InChIKeyDSCGAIOJMXERPL-UHFFFAOYSA-N
XLogP2.26
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110412461
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
1-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113003701
tert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate
CID 50999126
2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 113003641
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
N-(2,6-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109766
(4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride
CID 13180278
4-[2-(1H-indol-3-yl)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113109783
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146249

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone (CID 110602085) is cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is DSCGAIOJMXERPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-18(14-5-6-14)21-11-9-20(10-12-21)8-7-15-13-19-17-4-2-1-3-16(15)17/h1-4,13-14,19H,5-12H2.
What are the key properties of cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 297.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110602085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).