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

C14H16FN3O — CID 104597157

IUPACN-(2-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)cc2C#N)CCCCN1
InChIInChI=1S/C14H16FN3O/c1-14(6-2-3-7-17-14)13(19)18-12-5-4-11(15)8-10(12)9-16/h4-5,8,17H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyYCQSJKNRTAMEOJ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.17
Rot. Bonds2

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

N-(2-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide (PubChem CID 104597157) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
PubChem CID104597157
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-(2-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)cc2C#N)CCCCN1
InChIInChI=1S/C14H16FN3O/c1-14(6-2-3-7-17-14)13(19)18-12-5-4-11(15)8-10(12)9-16/h4-5,8,17H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyYCQSJKNRTAMEOJ-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-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 107528549
N-(4-fluoro-2-methoxyphenyl)-2-methylpiperidine-2-carboxamide
CID 104596685
N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104596735
1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide
CID 82016106
2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide
CID 104597136
N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 82683758
N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104597189
N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide
CID 113430886
N-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100721529
3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide
CID 82016621
N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368554
(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580446

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide (CID 104597157) is N-(2-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide is CC1(C(=O)Nc2ccc(F)cc2C#N)CCCCN1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide?
The InChIKey is YCQSJKNRTAMEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-14(6-2-3-7-17-14)13(19)18-12-5-4-11(15)8-10(12)9-16/h4-5,8,17H,2-3,6-7H2,1H3,(H,18,19).
What are the key properties of N-(2-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide?
N-(2-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-(2-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104597157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).