2-chloro-4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]benzonitrile

C21H20ClN3O — CID 133298993

IUPAC2-chloro-4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1Cl
InChIInChI=1S/C21H20ClN3O/c22-19-13-18(6-5-17(19)14-23)24-10-7-16(8-11-24)21(26)25-12-9-15-3-1-2-4-20(15)25/h1-6,13,16H,7-12H2
InChIKeyBGQKQEZKIXZIHN-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.02
Rot. Bonds2

About 2-chloro-4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]benzonitrile

2-chloro-4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]benzonitrile (PubChem CID 133298993) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-chloro-4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]benzonitrile
PubChem CID133298993
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name2-chloro-4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1Cl
InChIInChI=1S/C21H20ClN3O/c22-19-13-18(6-5-17(19)14-23)24-10-7-16(8-11-24)21(26)25-12-9-15-3-1-2-4-20(15)25/h1-6,13,16H,7-12H2
InChIKeyBGQKQEZKIXZIHN-UHFFFAOYSA-N
XLogP4.02
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-chloro-4-cyanophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 133297208
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902388
2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 172891744
[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172891749
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
2-chloro-4-(3-hydroxypyrrolidin-1-yl)benzonitrile
CID 62945565
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902056
2,3-dihydroindol-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133298996
1-(3-chloro-4-cyanophenyl)piperidine-3-carboxylic acid
CID 62944659
2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone
CID 172901505
2-chloro-4-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)benzonitrile
CID 71876706
2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone
CID 167985381

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]benzonitrile?
The IUPAC name of 2-chloro-4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]benzonitrile (CID 133298993) is 2-chloro-4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]benzonitrile.
What is the SMILES notation for 2-chloro-4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]benzonitrile?
The canonical SMILES for 2-chloro-4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]benzonitrile is N#Cc1ccc(N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]benzonitrile?
The InChIKey is BGQKQEZKIXZIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c22-19-13-18(6-5-17(19)14-23)24-10-7-16(8-11-24)21(26)25-12-9-15-3-1-2-4-20(15)25/h1-6,13,16H,7-12H2.
What are the key properties of 2-chloro-4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]benzonitrile?
2-chloro-4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]benzonitrile has a molecular weight of 365.86 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]benzonitrile is sourced from PubChem (CID 133298993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).