N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide

C16H23FN2O — CID 106740349

IUPACN-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESCc1cc(F)ccc1CCNC(=O)C1CCNC(C)C1
InChIInChI=1S/C16H23FN2O/c1-11-9-15(17)4-3-13(11)5-8-19-16(20)14-6-7-18-12(2)10-14/h3-4,9,12,14,18H,5-8,10H2,1-2H3,(H,19,20)
InChIKeyVZSQCXMTFGBSMA-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.18
Rot. Bonds4

About N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide

N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide (PubChem CID 106740349) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
PubChem CID106740349
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESCc1cc(F)ccc1CCNC(=O)C1CCNC(C)C1
InChIInChI=1S/C16H23FN2O/c1-11-9-15(17)4-3-13(11)5-8-19-16(20)14-6-7-18-12(2)10-14/h3-4,9,12,14,18H,5-8,10H2,1-2H3,(H,19,20)
InChIKeyVZSQCXMTFGBSMA-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637776
(2S,4S)-N-[2-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616696
3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119814173
(3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81134243
N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106739949
(2S,4S)-N-[2-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120618703
(2S,4S)-N-[(2-bromo-4-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624298
2-[2-(4-fluoro-2-methylphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978975
(2S,4S)-N-[3-[(4-fluorobenzoyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632447
(2S,4S)-N-[2-(2,3-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623938
N-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119814166
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-4-carboxamide
CID 106832159

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide (CID 106740349) is N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide is Cc1cc(F)ccc1CCNC(=O)C1CCNC(C)C1.
What is the InChIKey of N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is VZSQCXMTFGBSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-11-9-15(17)4-3-13(11)5-8-19-16(20)14-6-7-18-12(2)10-14/h3-4,9,12,14,18H,5-8,10H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 278.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106740349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).