(2,6-dichlorophenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone

C19H17Cl2N3O — CID 2802639

IUPAC(2,6-dichlorophenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1c(Cl)cccc1Cl)N1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C19H17Cl2N3O/c20-14-3-1-4-15(21)18(14)19(25)24-11-9-23(10-12-24)17-6-2-5-16-13(17)7-8-22-16/h1-8,22H,9-12H2
InChIKeyOLSSJOVYNZYJIL-UHFFFAOYSA-N
MW374.27 g/mol
LogP4.44
Rot. Bonds2

About (2,6-dichlorophenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone

(2,6-dichlorophenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone (PubChem CID 2802639) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone
PubChem CID2802639
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC Name(2,6-dichlorophenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1c(Cl)cccc1Cl)N1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C19H17Cl2N3O/c20-14-3-1-4-15(21)18(14)19(25)24-11-9-23(10-12-24)17-6-2-5-16-13(17)7-8-22-16/h1-8,22H,9-12H2
InChIKeyOLSSJOVYNZYJIL-UHFFFAOYSA-N
XLogP4.44
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trichloro-1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone
CID 126740582
[4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2802635
1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one
CID 139990891
N-(3,4-dichlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide
CID 2802663
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
(2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403001
4-(4-methyl-1,4-diazepan-1-yl)-1H-indole
CID 102049749
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 78771391
N-(cyclohexanecarbonyl)-N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]cyclohexanecarboxamide;dihydrochloride
CID 70123294
4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide
CID 154765240
4-[4-[2-(2,5-dichlorophenyl)sulfanylethyl]piperazin-1-yl]-1H-indole
CID 10294734

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,6-dichlorophenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone (CID 2802639) is (2,6-dichlorophenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,6-dichlorophenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone is O=C(c1c(Cl)cccc1Cl)N1CCN(c2cccc3[nH]ccc23)CC1.
What is the InChIKey of (2,6-dichlorophenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone?
The InChIKey is OLSSJOVYNZYJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O/c20-14-3-1-4-15(21)18(14)19(25)24-11-9-23(10-12-24)17-6-2-5-16-13(17)7-8-22-16/h1-8,22H,9-12H2.
What are the key properties of (2,6-dichlorophenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone?
(2,6-dichlorophenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone has a molecular weight of 374.27 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 2802639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).