N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide

C14H16FN3O — CID 104596735

IUPACN-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)c(C#N)c2)CCCCN1
InChIInChI=1S/C14H16FN3O/c1-14(6-2-3-7-17-14)13(19)18-11-4-5-12(15)10(8-11)9-16/h4-5,8,17H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyIFFMQKRKDUOWGU-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.17
Rot. Bonds2

About N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide

N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide (PubChem CID 104596735) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
PubChem CID104596735
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)c(C#N)c2)CCCCN1
InChIInChI=1S/C14H16FN3O/c1-14(6-2-3-7-17-14)13(19)18-11-4-5-12(15)10(8-11)9-16/h4-5,8,17H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyIFFMQKRKDUOWGU-UHFFFAOYSA-N
XLogP2.17
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-2-carboxamide
CID 114839641
N-(2-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104597157
N-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368545
N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide
CID 113430886
4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide
CID 115294803
2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide
CID 104597136
N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368554
N-(4-ethylsulfonylphenyl)-2-methylpiperidine-2-carboxamide
CID 104596237
N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 107528549
N-(3,4-difluorophenyl)-2-methyl-7-oxoazepane-2-carboxamide
CID 110196340
[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
CID 107291162
N-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79208842

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide (CID 104596735) is N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide is CC1(C(=O)Nc2ccc(F)c(C#N)c2)CCCCN1.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide?
The InChIKey is IFFMQKRKDUOWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-14(6-2-3-7-17-14)13(19)18-11-4-5-12(15)10(8-11)9-16/h4-5,8,17H,2-3,6-7H2,1H3,(H,18,19).
What are the key properties of N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide?
N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104596735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).