N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide

C13H16F2N2O — CID 113223019

IUPACN-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cc(F)ccc2F)CC1
InChIInChI=1S/C13H16F2N2O/c1-9-4-6-17(7-5-9)13(18)16-12-8-10(14)2-3-11(12)15/h2-3,8-9H,4-7H2,1H3,(H,16,18)
InChIKeyUECBWHSBFBRHHE-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.23
Rot. Bonds1

About N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide

N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide (PubChem CID 113223019) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
PubChem CID113223019
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cc(F)ccc2F)CC1
InChIInChI=1S/C13H16F2N2O/c1-9-4-6-17(7-5-9)13(18)16-12-8-10(14)2-3-11(12)15/h2-3,8-9H,4-7H2,1H3,(H,16,18)
InChIKeyUECBWHSBFBRHHE-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 79766315
N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223020
4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823379
N-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 78839686
N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 103767711
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455
N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 79152139
N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 103774793
1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16770140
N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide
CID 91913300
4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 63595164
N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3258791

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide (CID 113223019) is N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2cc(F)ccc2F)CC1.
What is the InChIKey of N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is UECBWHSBFBRHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-9-4-6-17(7-5-9)13(18)16-12-8-10(14)2-3-11(12)15/h2-3,8-9H,4-7H2,1H3,(H,16,18).
What are the key properties of N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide?
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 113223019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).