N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide

C15H16ClN3O — CID 116783798

IUPACN-(5-chloroquinolin-8-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c2cccnc12)N1CCCCC1
InChIInChI=1S/C15H16ClN3O/c16-12-6-7-13(14-11(12)5-4-8-17-14)18-15(20)19-9-2-1-3-10-19/h4-8H,1-3,9-10H2,(H,18,20)
InChIKeySTMUBLRFWLRHQW-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.91
Rot. Bonds1

About N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide

N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide (PubChem CID 116783798) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloroquinolin-8-yl)piperidine-1-carboxamide
PubChem CID116783798
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-(5-chloroquinolin-8-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c2cccnc12)N1CCCCC1
InChIInChI=1S/C15H16ClN3O/c16-12-6-7-13(14-11(12)5-4-8-17-14)18-15(20)19-9-2-1-3-10-19/h4-8H,1-3,9-10H2,(H,18,20)
InChIKeySTMUBLRFWLRHQW-UHFFFAOYSA-N
XLogP3.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide
CID 115581912
N-(3-chloro-2-pyridinyl)pyrrolidine-1-carboxamide
CID 103886210
1-(5-chloroquinolin-8-yl)-3-cyclopentylurea
CID 47201915
azetidin-1-yl-(5-chloroquinolin-8-yl)methanone
CID 166196760
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide
CID 66464804
6-chloro-N-(5-chloroquinolin-8-yl)pyridazine-3-carboxamide
CID 61041185
2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone
CID 116783960
(2R)-N-(5-chloroquinolin-8-yl)piperidine-2-carboxamide
CID 104913187
3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide
CID 65269986
3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide
CID 116785166
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965

Frequently Asked Questions

What is the IUPAC name of N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide?
The IUPAC name of N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide (CID 116783798) is N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide is O=C(Nc1ccc(Cl)c2cccnc12)N1CCCCC1.
What is the InChIKey of N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide?
The InChIKey is STMUBLRFWLRHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-12-6-7-13(14-11(12)5-4-8-17-14)18-15(20)19-9-2-1-3-10-19/h4-8H,1-3,9-10H2,(H,18,20).
What are the key properties of N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide?
N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide is sourced from PubChem (CID 116783798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).