1-(4,5-dichloro-1H-indole-2-carbonyl)piperidine-4-carbonitrile

C15H13Cl2N3O — CID 49061963

IUPAC1-(4,5-dichloro-1H-indole-2-carbonyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C15H13Cl2N3O/c16-11-1-2-12-10(14(11)17)7-13(19-12)15(21)20-5-3-9(8-18)4-6-20/h1-2,7,9,19H,3-6H2
InChIKeyCIWGAFVHFDEEAY-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.85
Rot. Bonds1

About 1-(4,5-dichloro-1H-indole-2-carbonyl)piperidine-4-carbonitrile

1-(4,5-dichloro-1H-indole-2-carbonyl)piperidine-4-carbonitrile (PubChem CID 49061963) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 1-(4,5-dichloro-1H-indole-2-carbonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(4,5-dichloro-1H-indole-2-carbonyl)piperidine-4-carbonitrile
PubChem CID49061963
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name1-(4,5-dichloro-1H-indole-2-carbonyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C15H13Cl2N3O/c16-11-1-2-12-10(14(11)17)7-13(19-12)15(21)20-5-3-9(8-18)4-6-20/h1-2,7,9,19H,3-6H2
InChIKeyCIWGAFVHFDEEAY-UHFFFAOYSA-N
XLogP3.85
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile
CID 49064699
1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile
CID 47086841
azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone
CID 167907926
1-[2-chloro-5-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carbonitrile
CID 110312578
1-(3-chlorobenzoyl)piperidine-4-carbonitrile
CID 39351559
1-[2-(3,4-dichlorophenyl)acetyl]piperidine-4-carbonitrile
CID 49064702
(4-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 66572106
1-(2,3-dichloro-5-nitrobenzoyl)piperidine-4-carbonitrile
CID 107261912
1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-2-carbonyl]piperidine-4-carbonitrile
CID 141418557
1-(3,5-dimethylbenzoyl)piperidine-4-carbonitrile
CID 49064706
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile
CID 49064321
(4,5-dichloro-1H-pyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260480

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dichloro-1H-indole-2-carbonyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(4,5-dichloro-1H-indole-2-carbonyl)piperidine-4-carbonitrile (CID 49061963) is 1-(4,5-dichloro-1H-indole-2-carbonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(4,5-dichloro-1H-indole-2-carbonyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(4,5-dichloro-1H-indole-2-carbonyl)piperidine-4-carbonitrile is N#CC1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1.
What is the InChIKey of 1-(4,5-dichloro-1H-indole-2-carbonyl)piperidine-4-carbonitrile?
The InChIKey is CIWGAFVHFDEEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c16-11-1-2-12-10(14(11)17)7-13(19-12)15(21)20-5-3-9(8-18)4-6-20/h1-2,7,9,19H,3-6H2.
What are the key properties of 1-(4,5-dichloro-1H-indole-2-carbonyl)piperidine-4-carbonitrile?
1-(4,5-dichloro-1H-indole-2-carbonyl)piperidine-4-carbonitrile has a molecular weight of 322.20 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dichloro-1H-indole-2-carbonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 49061963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).