N-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide

C14H18F2N2O — CID 55236472

IUPACN-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCc2cc(F)ccc2F)CCCNC1
InChIInChI=1S/C14H18F2N2O/c1-14(5-2-6-17-9-14)13(19)18-8-10-7-11(15)3-4-12(10)16/h3-4,7,17H,2,5-6,8-9H2,1H3,(H,18,19)
InChIKeyXUBXYZQBTUTZBM-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.97
Rot. Bonds3

About N-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide

N-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide (PubChem CID 55236472) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
PubChem CID55236472
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCc2cc(F)ccc2F)CCCNC1
InChIInChI=1S/C14H18F2N2O/c1-14(5-2-6-17-9-14)13(19)18-8-10-7-11(15)3-4-12(10)16/h3-4,7,17H,2,5-6,8-9H2,1H3,(H,18,19)
InChIKeyXUBXYZQBTUTZBM-UHFFFAOYSA-N
XLogP1.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835
(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92864096
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide
CID 106827402
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63130190
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119944209
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide
CID 172894946
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63130668
N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63134873
N-(4-fluoro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide
CID 55166819
3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119944291

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide (CID 55236472) is N-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide is CC1(C(=O)NCc2cc(F)ccc2F)CCCNC1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is XUBXYZQBTUTZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-14(5-2-6-17-9-14)13(19)18-8-10-7-11(15)3-4-12(10)16/h3-4,7,17H,2,5-6,8-9H2,1H3,(H,18,19).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide?
N-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 55236472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).