2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile

C20H22N4O — CID 127485716

IUPAC2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCC(N3CCCCC3=O)CC2)nc2ccccc12
InChIInChI=1S/C20H22N4O/c21-14-15-13-19(22-18-6-2-1-5-17(15)18)23-11-8-16(9-12-23)24-10-4-3-7-20(24)25/h1-2,5-6,13,16H,3-4,7-12H2
InChIKeyRZWQSHMKTRCPEY-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.09
Rot. Bonds2

About 2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile

2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile (PubChem CID 127485716) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile
PubChem CID127485716
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCC(N3CCCCC3=O)CC2)nc2ccccc12
InChIInChI=1S/C20H22N4O/c21-14-15-13-19(22-18-6-2-1-5-17(15)18)23-11-8-16(9-12-23)24-10-4-3-7-20(24)25/h1-2,5-6,13,16H,3-4,7-12H2
InChIKeyRZWQSHMKTRCPEY-UHFFFAOYSA-N
XLogP3.09
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile
CID 63884859
2-(2-formylpiperidin-1-yl)quinoline-4-carbonitrile
CID 63886612
2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile
CID 127386584
2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile
CID 63883511
2-(4-methyl-1,4-diazepan-1-yl)quinoline-4-carbonitrile
CID 63883709
2-[2-(methylaminomethyl)piperidin-1-yl]quinoline-4-carbonitrile
CID 63886216
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile
CID 66371449
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]quinoline-4-carbonitrile
CID 172901791
N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide
CID 165435188
1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one
CID 138042688
1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899358
2-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432276

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile?
The IUPAC name of 2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile (CID 127485716) is 2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile?
The canonical SMILES for 2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile is N#Cc1cc(N2CCC(N3CCCCC3=O)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile?
The InChIKey is RZWQSHMKTRCPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-14-15-13-19(22-18-6-2-1-5-17(15)18)23-11-8-16(9-12-23)24-10-4-3-7-20(24)25/h1-2,5-6,13,16H,3-4,7-12H2.
What are the key properties of 2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile?
2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile has a molecular weight of 334.42 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile is sourced from PubChem (CID 127485716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).