(2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide

C13H16F2N2O — CID 120619158

IUPAC(2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2cc(F)cc(F)c2)CCN1
InChIInChI=1S/C13H16F2N2O/c1-8-4-9(2-3-16-8)13(18)17-12-6-10(14)5-11(15)7-12/h5-9,16H,2-4H2,1H3,(H,17,18)/t8-,9-/m0/s1
InChIKeyAEACOGHFABPLKA-IUCAKERBSA-N
MW254.28 g/mol
LogP2.29
Rot. Bonds2

About (2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide

(2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide (PubChem CID 120619158) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is (2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide
PubChem CID120619158
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name(2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2cc(F)cc(F)c2)CCN1
InChIInChI=1S/C13H16F2N2O/c1-8-4-9(2-3-16-8)13(18)17-12-6-10(14)5-11(15)7-12/h5-9,16H,2-4H2,1H3,(H,17,18)/t8-,9-/m0/s1
InChIKeyAEACOGHFABPLKA-IUCAKERBSA-N
XLogP2.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 18072624
N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106740543
(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620325
N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106739949
(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620459
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 106740207
3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783799
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide (CID 120619158) is (2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)Nc2cc(F)cc(F)c2)CCN1.
What is the InChIKey of (2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is AEACOGHFABPLKA-IUCAKERBSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8-4-9(2-3-16-8)13(18)17-12-6-10(14)5-11(15)7-12/h5-9,16H,2-4H2,1H3,(H,17,18)/t8-,9-/m0/s1.
What are the key properties of (2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120619158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).