[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl] carbamate

C18H20N4O3 — CID 175061198

IUPAC[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl] carbamate
SMILESN#Cc1ccc2ccc(=O)n(CCN3CCC(OC(N)=O)CC3)c2c1
InChIInChI=1S/C18H20N4O3/c19-12-13-1-2-14-3-4-17(23)22(16(14)11-13)10-9-21-7-5-15(6-8-21)25-18(20)24/h1-4,11,15H,5-10H2,(H2,20,24)
InChIKeyLVGRRPRERUERKV-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.43
Rot. Bonds4

About [1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl] carbamate

[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl] carbamate (PubChem CID 175061198) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is [1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl] carbamate.

Molecular Properties

Compound Name[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl] carbamate
PubChem CID175061198
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl] carbamate
SMILESN#Cc1ccc2ccc(=O)n(CCN3CCC(OC(N)=O)CC3)c2c1
InChIInChI=1S/C18H20N4O3/c19-12-13-1-2-14-3-4-17(23)22(16(14)11-13)10-9-21-7-5-15(6-8-21)25-18(20)24/h1-4,11,15H,5-10H2,(H2,20,24)
InChIKeyLVGRRPRERUERKV-UHFFFAOYSA-N
XLogP1.43
TPSA101.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66843618
1-[2-(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile
CID 68610480
N-[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
CID 25160350
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxyquinolin-2-one
CID 59398289
2-oxo-1-(3-oxopropyl)quinoline-7-carbonitrile
CID 130303541
1-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxoquinoline-7-carbonitrile
CID 130336630
tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66774842
1-[2-[(3R,4S)-3-hydroxy-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-2-oxoquinoline-7-carbonitrile;dihydrochloride
CID 25008764
[1-(4-cyanophenyl)sulfonylpiperidin-4-yl] carbamate
CID 175545584
1-[2-[(3aS,7aR)-2-oxo-1-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl]ethyl]-2-oxoquinoline-7-carbonitrile
CID 137470105
[(3R,4S)-1-[2-(7-cyano-4-methyl-2-oxoquinolin-1-yl)ethyl]-3-methoxypiperidin-4-yl]carbamic acid
CID 68610941
[1-(3-ethoxy-3-oxopropyl)piperidin-4-yl] 5-cyano-2-benzofuran-1-carboxylate
CID 57257960

Frequently Asked Questions

What is the IUPAC name of [1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl] carbamate?
The IUPAC name of [1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl] carbamate (CID 175061198) is [1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl] carbamate.
What is the SMILES notation for [1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl] carbamate?
The canonical SMILES for [1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl] carbamate is N#Cc1ccc2ccc(=O)n(CCN3CCC(OC(N)=O)CC3)c2c1.
What is the InChIKey of [1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl] carbamate?
The InChIKey is LVGRRPRERUERKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c19-12-13-1-2-14-3-4-17(23)22(16(14)11-13)10-9-21-7-5-15(6-8-21)25-18(20)24/h1-4,11,15H,5-10H2,(H2,20,24).
What are the key properties of [1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl] carbamate?
[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl] carbamate has a molecular weight of 340.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl] carbamate is sourced from PubChem (CID 175061198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).