1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-phenylpiperidine-4-carbonitrile

C22H23N3O — CID 24852801

IUPAC1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C22H23N3O/c23-17-22(19-9-2-1-3-10-19)12-15-24(16-13-22)21(26)25-14-6-8-18-7-4-5-11-20(18)25/h1-5,7,9-11H,6,8,12-16H2
InChIKeyVIOMPLLBGXELOC-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.12
Rot. Bonds1

About 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-phenylpiperidine-4-carbonitrile

1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-phenylpiperidine-4-carbonitrile (PubChem CID 24852801) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-phenylpiperidine-4-carbonitrile
PubChem CID24852801
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C22H23N3O/c23-17-22(19-9-2-1-3-10-19)12-15-24(16-13-22)21(26)25-14-6-8-18-7-4-5-11-20(18)25/h1-5,7,9-11H,6,8,12-16H2
InChIKeyVIOMPLLBGXELOC-UHFFFAOYSA-N
XLogP4.12
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde
CID 108988608
1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid
CID 28513192
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432104
(1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81179499
azepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone
CID 108980420
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethane-1,2-dione
CID 108985988
4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide
CID 3717988
1-(3,4-dihydro-2H-quinoline-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 61184724
4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3864975

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-phenylpiperidine-4-carbonitrile (CID 24852801) is 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-phenylpiperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(C(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-phenylpiperidine-4-carbonitrile?
The InChIKey is VIOMPLLBGXELOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c23-17-22(19-9-2-1-3-10-19)12-15-24(16-13-22)21(26)25-14-6-8-18-7-4-5-11-20(18)25/h1-5,7,9-11H,6,8,12-16H2.
What are the key properties of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-phenylpiperidine-4-carbonitrile?
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-phenylpiperidine-4-carbonitrile has a molecular weight of 345.45 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 24852801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).