N-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide

C14H16FN3O — CID 78839686

IUPACN-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1
InChIInChI=1S/C14H16FN3O/c1-10-4-6-18(7-5-10)14(19)17-13-3-2-12(15)8-11(13)9-16/h2-3,8,10H,4-7H2,1H3,(H,17,19)
InChIKeyVNNMSPLHUYARAT-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.96
Rot. Bonds1

About N-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide

N-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide (PubChem CID 78839686) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
PubChem CID78839686
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1
InChIInChI=1S/C14H16FN3O/c1-10-4-6-18(7-5-10)14(19)17-13-3-2-12(15)8-11(13)9-16/h2-3,8,10H,4-7H2,1H3,(H,17,19)
InChIKeyVNNMSPLHUYARAT-UHFFFAOYSA-N
XLogP2.96
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-cyano-4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 82017015
N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide
CID 78839911
1-[(2-cyano-4-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 82015860
N-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 79766315
N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223020
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
N-(2-cyano-4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 78839934
1-[(2-cyano-4-fluorophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782955
1-(2-cyano-4-fluorophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 78894638
N-(2-cyano-4-fluorophenyl)-4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepane-1-carboxamide
CID 78894118
N-[4-cyano-3-(5-fluoro-3-pyridinyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 170617302
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide (CID 78839686) is N-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is VNNMSPLHUYARAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-10-4-6-18(7-5-10)14(19)17-13-3-2-12(15)8-11(13)9-16/h2-3,8,10H,4-7H2,1H3,(H,17,19).
What are the key properties of N-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide?
N-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 78839686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).