N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]benzamide

C23H22N4O2 — CID 56644468

IUPACN-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]benzamide
SMILESCn1c(=O)c(C#N)c(N2CCC(NC(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C23H22N4O2/c1-26-20-10-6-5-9-18(20)21(19(15-24)23(26)29)27-13-11-17(12-14-27)25-22(28)16-7-3-2-4-8-16/h2-10,17H,11-14H2,1H3,(H,25,28)
InChIKeyRWNHFARQJFFHKZ-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.81
Rot. Bonds3

About N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]benzamide

N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]benzamide (PubChem CID 56644468) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]benzamide
PubChem CID56644468
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]benzamide
SMILESCn1c(=O)c(C#N)c(N2CCC(NC(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C23H22N4O2/c1-26-20-10-6-5-9-18(20)21(19(15-24)23(26)29)27-13-11-17(12-14-27)25-22(28)16-7-3-2-4-8-16/h2-10,17H,11-14H2,1H3,(H,25,28)
InChIKeyRWNHFARQJFFHKZ-UHFFFAOYSA-N
XLogP2.81
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-hydroxyacetamide
CID 56644467
N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 58080685
N-(cyanomethyl)-1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidine-4-carboxamide
CID 89052488
[[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]amino]methyl thiocyanate
CID 89052599
azane;1-methyl-2-oxo-4-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 162315338
4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile
CID 58799197
1-methyl-2-oxo-4-[3-[2-(trifluoromethyl)prop-2-enoyl]azetidin-1-yl]quinoline-3-carbonitrile
CID 66558124
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile
CID 58799127
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493
N-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]benzamide
CID 11674340
N-[1-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-4-yl]benzamide
CID 17466400

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]benzamide?
The IUPAC name of N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]benzamide (CID 56644468) is N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]benzamide is Cn1c(=O)c(C#N)c(N2CCC(NC(=O)c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]benzamide?
The InChIKey is RWNHFARQJFFHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-26-20-10-6-5-9-18(20)21(19(15-24)23(26)29)27-13-11-17(12-14-27)25-22(28)16-7-3-2-4-8-16/h2-10,17H,11-14H2,1H3,(H,25,28).
What are the key properties of N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]benzamide?
N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]benzamide has a molecular weight of 386.46 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 56644468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).