4-[1-(5-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carbaldehyde

C17H18FN3O2 — CID 113210567

IUPAC4-[1-(5-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)C2(c3c[nH]c4ccc(F)cc34)CC2)CC1
InChIInChI=1S/C17H18FN3O2/c18-12-1-2-15-13(9-12)14(10-19-15)17(3-4-17)16(23)21-7-5-20(11-22)6-8-21/h1-2,9-11,19H,3-8H2
InChIKeyGDIGGPOFEMLSMU-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.64
Rot. Bonds3

About 4-[1-(5-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carbaldehyde

4-[1-(5-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carbaldehyde (PubChem CID 113210567) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-[1-(5-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[1-(5-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
PubChem CID113210567
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name4-[1-(5-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)C2(c3c[nH]c4ccc(F)cc34)CC2)CC1
InChIInChI=1S/C17H18FN3O2/c18-12-1-2-15-13(9-12)14(10-19-15)17(3-4-17)16(23)21-7-5-20(11-22)6-8-21/h1-2,9-11,19H,3-8H2
InChIKeyGDIGGPOFEMLSMU-UHFFFAOYSA-N
XLogP1.64
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113210609
[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 113210608
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methanone
CID 113210788
[1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone
CID 113210923
N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210710
ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 113209136
N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210646
N-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210711
N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210681
1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 113210584
1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 113205617
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[1-(5-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carbaldehyde (CID 113210567) is 4-[1-(5-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[1-(5-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[1-(5-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)C2(c3c[nH]c4ccc(F)cc34)CC2)CC1.
What is the InChIKey of 4-[1-(5-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carbaldehyde?
The InChIKey is GDIGGPOFEMLSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-12-1-2-15-13(9-12)14(10-19-15)17(3-4-17)16(23)21-7-5-20(11-22)6-8-21/h1-2,9-11,19H,3-8H2.
What are the key properties of 4-[1-(5-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carbaldehyde?
4-[1-(5-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carbaldehyde has a molecular weight of 315.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 113210567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).