(5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C19H17ClFN3O — CID 113205820

IUPAC(5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17ClFN3O/c20-13-1-6-18-16(11-13)17(12-22-18)19(25)24-9-7-23(8-10-24)15-4-2-14(21)3-5-15/h1-6,11-12,22H,7-10H2
InChIKeySQAPAHPLGUFHHH-UHFFFAOYSA-N
MW357.82 g/mol
LogP3.92
Rot. Bonds2

About (5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

(5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 113205820) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is (5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID113205820
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC Name(5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17ClFN3O/c20-13-1-6-18-16(11-13)17(12-22-18)19(25)24-9-7-23(8-10-24)15-4-2-14(21)3-5-15/h1-6,11-12,22H,7-10H2
InChIKeySQAPAHPLGUFHHH-UHFFFAOYSA-N
XLogP3.92
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone
CID 82277575
4-(5-chloro-1H-indole-3-carbonyl)piperazine-1-carbaldehyde
CID 113205789
1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 113205617
(2,5-dichlorophenyl)-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 87029906
(5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113206035
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435
1-(5-fluoro-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 113208063
(5-chloro-2-nitrophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 1221491
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide
CID 113205913
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 7087091
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 113205820) is (5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is SQAPAHPLGUFHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c20-13-1-6-18-16(11-13)17(12-22-18)19(25)24-9-7-23(8-10-24)15-4-2-14(21)3-5-15/h1-6,11-12,22H,7-10H2.
What are the key properties of (5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 357.82 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113205820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).