N-[(8-fluoroquinolin-3-yl)methyl]-3,3-dimethylpiperidine-2-carboxamide

C18H22FN3O — CID 166286651

IUPACN-[(8-fluoroquinolin-3-yl)methyl]-3,3-dimethylpiperidine-2-carboxamide
SMILESCC1(C)CCCNC1C(=O)NCc1cnc2c(F)cccc2c1
InChIInChI=1S/C18H22FN3O/c1-18(2)7-4-8-20-16(18)17(23)22-11-12-9-13-5-3-6-14(19)15(13)21-10-12/h3,5-6,9-10,16,20H,4,7-8,11H2,1-2H3,(H,22,23)
InChIKeyISJYOGITUVNTDX-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.77
Rot. Bonds3

About N-[(8-fluoroquinolin-3-yl)methyl]-3,3-dimethylpiperidine-2-carboxamide

N-[(8-fluoroquinolin-3-yl)methyl]-3,3-dimethylpiperidine-2-carboxamide (PubChem CID 166286651) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[(8-fluoroquinolin-3-yl)methyl]-3,3-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(8-fluoroquinolin-3-yl)methyl]-3,3-dimethylpiperidine-2-carboxamide
PubChem CID166286651
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC NameN-[(8-fluoroquinolin-3-yl)methyl]-3,3-dimethylpiperidine-2-carboxamide
SMILESCC1(C)CCCNC1C(=O)NCc1cnc2c(F)cccc2c1
InChIInChI=1S/C18H22FN3O/c1-18(2)7-4-8-20-16(18)17(23)22-11-12-9-13-5-3-6-14(19)15(13)21-10-12/h3,5-6,9-10,16,20H,4,7-8,11H2,1-2H3,(H,22,23)
InChIKeyISJYOGITUVNTDX-UHFFFAOYSA-N
XLogP2.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide
CID 106390878
N-(quinolin-3-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119855878
1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate
CID 110489648
N-(8-fluoroquinolin-3-yl)-1-(methoxymethyl)cyclopentane-1-carboxamide
CID 167842246
2-(2-fluorophenyl)-N-(quinolin-3-ylmethyl)acetamide
CID 110733805
N'-(8-fluoroquinolin-3-yl)-N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]oxamide
CID 139020440
N-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide
CID 114162096
ethyl 8-fluoroquinoline-3-carboxylate
CID 15525332
N-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide
CID 114119268
3,3-dimethyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]piperidine-2-carboxamide
CID 136582905
N-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride
CID 120670834

Frequently Asked Questions

What is the IUPAC name of N-[(8-fluoroquinolin-3-yl)methyl]-3,3-dimethylpiperidine-2-carboxamide?
The IUPAC name of N-[(8-fluoroquinolin-3-yl)methyl]-3,3-dimethylpiperidine-2-carboxamide (CID 166286651) is N-[(8-fluoroquinolin-3-yl)methyl]-3,3-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(8-fluoroquinolin-3-yl)methyl]-3,3-dimethylpiperidine-2-carboxamide?
The canonical SMILES for N-[(8-fluoroquinolin-3-yl)methyl]-3,3-dimethylpiperidine-2-carboxamide is CC1(C)CCCNC1C(=O)NCc1cnc2c(F)cccc2c1.
What is the InChIKey of N-[(8-fluoroquinolin-3-yl)methyl]-3,3-dimethylpiperidine-2-carboxamide?
The InChIKey is ISJYOGITUVNTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-18(2)7-4-8-20-16(18)17(23)22-11-12-9-13-5-3-6-14(19)15(13)21-10-12/h3,5-6,9-10,16,20H,4,7-8,11H2,1-2H3,(H,22,23).
What are the key properties of N-[(8-fluoroquinolin-3-yl)methyl]-3,3-dimethylpiperidine-2-carboxamide?
N-[(8-fluoroquinolin-3-yl)methyl]-3,3-dimethylpiperidine-2-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-fluoroquinolin-3-yl)methyl]-3,3-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 166286651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).