N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide

C14H19FN2O2 — CID 106740759

IUPACN-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCNC(C)C2)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-9-7-10(5-6-16-9)14(18)17-11-3-4-12(15)13(8-11)19-2/h3-4,8-10,16H,5-7H2,1-2H3,(H,17,18)
InChIKeyVVKSSJAZYJQADR-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.16
Rot. Bonds3

About N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide

N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide (PubChem CID 106740759) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide
PubChem CID106740759
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCNC(C)C2)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-9-7-10(5-6-16-9)14(18)17-11-3-4-12(15)13(8-11)19-2/h3-4,8-10,16H,5-7H2,1-2H3,(H,17,18)
InChIKeyVVKSSJAZYJQADR-UHFFFAOYSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620325
3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 114839686
(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120617184
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
(2S,4S)-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623737
(2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631536
(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620459
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
2-[(4-fluoro-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114837407
methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120616157

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide (CID 106740759) is N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide is COc1cc(NC(=O)C2CCNC(C)C2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is VVKSSJAZYJQADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9-7-10(5-6-16-9)14(18)17-11-3-4-12(15)13(8-11)19-2/h3-4,8-10,16H,5-7H2,1-2H3,(H,17,18).
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide?
N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106740759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).