N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide

C14H19FN2O — CID 17087793

IUPACN-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC(C)C2)cc1F
InChIInChI=1S/C14H19FN2O/c1-10-4-3-7-17(9-10)14(18)16-12-6-5-11(2)13(15)8-12/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyGOVFDCNCXVEUAR-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.40
Rot. Bonds1

About N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide

N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide (PubChem CID 17087793) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
PubChem CID17087793
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC(C)C2)cc1F
InChIInChI=1S/C14H19FN2O/c1-10-4-3-7-17(9-10)14(18)16-12-6-5-11(2)13(15)8-12/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyGOVFDCNCXVEUAR-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 63652481
(4aS,8aR)-N-(3-fluoro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944608
(4aR,8aS)-N-(3-fluoro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944607
ethyl 1-[(3-fluoro-4-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 3860710
N-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide
CID 79159528
3-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylazocane-1-carboxamide
CID 144845910
(3aS,7aR)-N-(3-fluoro-4-methylphenyl)-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 72872228
4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823381
N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide
CID 86987031
N-(3-fluoro-4-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 111797779
N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
CID 143206932
3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 110891069

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide (CID 17087793) is N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCC(C)C2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is GOVFDCNCXVEUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-4-3-7-17(9-10)14(18)16-12-6-5-11(2)13(15)8-12/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18).
What are the key properties of N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide?
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 17087793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).