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

C19H18ClN3O — CID 9208332

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H18ClN3O/c20-15-5-3-6-16(13-15)22-8-10-23(11-9-22)19(24)18-12-14-4-1-2-7-17(14)21-18/h1-7,12-13,21H,8-11H2
InChIKeyORTYVNBMDDWBSC-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.78
Rot. Bonds2

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

[4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 9208332) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID9208332
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H18ClN3O/c20-15-5-3-6-16(13-15)22-8-10-23(11-9-22)19(24)18-12-14-4-1-2-7-17(14)21-18/h1-7,12-13,21H,8-11H2
InChIKeyORTYVNBMDDWBSC-UHFFFAOYSA-N
XLogP3.78
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 46579208
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 3403714
1H-indol-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
CID 7015548
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
CID 4231166
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 154835068
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060454

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone (CID 9208332) is [4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is ORTYVNBMDDWBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-15-5-3-6-16(13-15)22-8-10-23(11-9-22)19(24)18-12-14-4-1-2-7-17(14)21-18/h1-7,12-13,21H,8-11H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 339.83 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 9208332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).