N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide

C14H19FN2O — CID 43579181

IUPACN-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)C1CCCNC1
InChIInChI=1S/C14H19FN2O/c1-17(10-11-4-6-13(15)7-5-11)14(18)12-3-2-8-16-9-12/h4-7,12,16H,2-3,8-10H2,1H3
InChIKeyGSKZBZDFNDTVPQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.78
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide

N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 43579181) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID43579181
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)C1CCCNC1
InChIInChI=1S/C14H19FN2O/c1-17(10-11-4-6-13(15)7-5-11)14(18)12-3-2-8-16-9-12/h4-7,12,16H,2-3,8-10H2,1H3
InChIKeyGSKZBZDFNDTVPQ-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81133672
(3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81129751
(3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128806
N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 60937275
(3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81124371
(3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 81128292
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81125207
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 81125976
N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-3-ylacetamide
CID 55138241
(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 81129550
N-[(4-chlorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 63005156
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide
CID 119896338

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide (CID 43579181) is N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide is CN(Cc1ccc(F)cc1)C(=O)C1CCCNC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is GSKZBZDFNDTVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-17(10-11-4-6-13(15)7-5-11)14(18)12-3-2-8-16-9-12/h4-7,12,16H,2-3,8-10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 43579181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).