2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile

C20H20N4O — CID 172891744

IUPAC2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(C(=O)N3CCc4ccccc43)CC2)c1
InChIInChI=1S/C20H20N4O/c21-14-15-5-9-22-19(13-15)23-10-6-17(7-11-23)20(25)24-12-8-16-3-1-2-4-18(16)24/h1-5,9,13,17H,6-8,10-12H2
InChIKeyLPGRSUXYFIGIES-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.76
Rot. Bonds2

About 2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile

2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 172891744) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile
PubChem CID172891744
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(C(=O)N3CCc4ccccc43)CC2)c1
InChIInChI=1S/C20H20N4O/c21-14-15-5-9-22-19(13-15)23-10-6-17(7-11-23)20(25)24-12-8-16-3-1-2-4-18(16)24/h1-5,9,13,17H,6-8,10-12H2
InChIKeyLPGRSUXYFIGIES-UHFFFAOYSA-N
XLogP2.76
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133298996
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902388
2-chloro-4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]benzonitrile
CID 133298993
[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172891749
2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone
CID 172901505
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
methyl 1-(4-cyano-2-pyridinyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate
CID 175877412
3-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 172891401
4-(2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 110682120
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902056
2,3-dihydroindol-1-yl-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methanone
CID 172901641
2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 56820315

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile (CID 172891744) is 2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCC(C(=O)N3CCc4ccccc43)CC2)c1.
What is the InChIKey of 2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is LPGRSUXYFIGIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c21-14-15-5-9-22-19(13-15)23-10-6-17(7-11-23)20(25)24-12-8-16-3-1-2-4-18(16)24/h1-5,9,13,17H,6-8,10-12H2.
What are the key properties of 2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile?
2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 332.41 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 172891744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).