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

C15H20F2N2O2 — CID 119314646

IUPACN-[3-(2,2-difluoroethoxy)-4-methylphenyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCNCC2)cc1OCC(F)F
InChIInChI=1S/C15H20F2N2O2/c1-10-2-3-12(8-13(10)21-9-14(16)17)19-15(20)11-4-6-18-7-5-11/h2-3,8,11,14,18H,4-7,9H2,1H3,(H,19,20)
InChIKeyMMWJZSUPLLVEAP-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.58
Rot. Bonds5

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

N-[3-(2,2-difluoroethoxy)-4-methylphenyl]piperidine-4-carboxamide (PubChem CID 119314646) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is N-[3-(2,2-difluoroethoxy)-4-methylphenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2-difluoroethoxy)-4-methylphenyl]piperidine-4-carboxamide
PubChem CID119314646
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC NameN-[3-(2,2-difluoroethoxy)-4-methylphenyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCNCC2)cc1OCC(F)F
InChIInChI=1S/C15H20F2N2O2/c1-10-2-3-12(8-13(10)21-9-14(16)17)19-15(20)11-4-6-18-7-5-11/h2-3,8,11,14,18H,4-7,9H2,1H3,(H,19,20)
InChIKeyMMWJZSUPLLVEAP-UHFFFAOYSA-N
XLogP2.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-methylpiperidine-4-carboxamide
CID 120630165
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide
CID 119768211
N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119786762
N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide
CID 56790840
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119768192
N-(3-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 98034216
1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(2-hydroxyethyl)urea
CID 110923302
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930337
N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
CID 119286140
N-(4-methyl-3-piperidin-4-ylphenyl)cyclopropanecarboxamide
CID 86235737
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide
CID 60927755
7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide
CID 119768175

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-difluoroethoxy)-4-methylphenyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(2,2-difluoroethoxy)-4-methylphenyl]piperidine-4-carboxamide (CID 119314646) is N-[3-(2,2-difluoroethoxy)-4-methylphenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2,2-difluoroethoxy)-4-methylphenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(2,2-difluoroethoxy)-4-methylphenyl]piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCNCC2)cc1OCC(F)F.
What is the InChIKey of N-[3-(2,2-difluoroethoxy)-4-methylphenyl]piperidine-4-carboxamide?
The InChIKey is MMWJZSUPLLVEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-10-2-3-12(8-13(10)21-9-14(16)17)19-15(20)11-4-6-18-7-5-11/h2-3,8,11,14,18H,4-7,9H2,1H3,(H,19,20).
What are the key properties of N-[3-(2,2-difluoroethoxy)-4-methylphenyl]piperidine-4-carboxamide?
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]piperidine-4-carboxamide has a molecular weight of 298.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-difluoroethoxy)-4-methylphenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119314646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).