(2S,4S)-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-methylpiperidine-4-carboxamide

C16H22F2N2O2 — CID 120630165

IUPAC(2S,4S)-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-methylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1OCC(F)F
InChIInChI=1S/C16H22F2N2O2/c1-10-3-4-13(8-14(10)22-9-15(17)18)20-16(21)12-5-6-19-11(2)7-12/h3-4,8,11-12,15,19H,5-7,9H2,1-2H3,(H,20,21)/t11-,12-/m0/s1
InChIKeyJWVHBABPYDLEHE-RYUDHWBXSA-N
MW312.36 g/mol
LogP2.97
Rot. Bonds5

About (2S,4S)-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120630165) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is (2S,4S)-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-methylpiperidine-4-carboxamide
PubChem CID120630165
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name(2S,4S)-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-methylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1OCC(F)F
InChIInChI=1S/C16H22F2N2O2/c1-10-3-4-13(8-14(10)22-9-15(17)18)20-16(21)12-5-6-19-11(2)7-12/h3-4,8,11-12,15,19H,5-7,9H2,1-2H3,(H,20,21)/t11-,12-/m0/s1
InChIKeyJWVHBABPYDLEHE-RYUDHWBXSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,2-difluoroethoxy)-4-methylphenyl]piperidine-4-carboxamide
CID 119314646
(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120619247
N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 106740759
(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620325
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120620818
(2S,4S)-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623737
(2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615898
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620817
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606
(2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616787
1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(2-hydroxyethyl)urea
CID 110923302
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-methylpiperidine-4-carboxamide (CID 120630165) is (2S,4S)-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-methylpiperidine-4-carboxamide is Cc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1OCC(F)F.
What is the InChIKey of (2S,4S)-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is JWVHBABPYDLEHE-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-10-3-4-13(8-14(10)22-9-15(17)18)20-16(21)12-5-6-19-11(2)7-12/h3-4,8,11-12,15,19H,5-7,9H2,1-2H3,(H,20,21)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120630165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).