N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide

C14H18F2N2O3 — CID 111111727

IUPACN-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide
SMILESCc1cccc(OC(F)F)c1NC(=O)N1CCCC(O)C1
InChIInChI=1S/C14H18F2N2O3/c1-9-4-2-6-11(21-13(15)16)12(9)17-14(20)18-7-3-5-10(19)8-18/h2,4,6,10,13,19H,3,5,7-8H2,1H3,(H,17,20)
InChIKeyWKHHDOSXUOVVGX-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.59
Rot. Bonds3

About N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide

N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 111111727) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide
PubChem CID111111727
Molecular FormulaC14H18F2N2O3
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC NameN-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide
SMILESCc1cccc(OC(F)F)c1NC(=O)N1CCCC(O)C1
InChIInChI=1S/C14H18F2N2O3/c1-9-4-2-6-11(21-13(15)16)12(9)17-14(20)18-7-3-5-10(19)8-18/h2,4,6,10,13,19H,3,5,7-8H2,1H3,(H,17,20)
InChIKeyWKHHDOSXUOVVGX-UHFFFAOYSA-N
XLogP2.59
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47192750
(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431144
N-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidine-1-carboxamide
CID 110895568
1-[[2-(difluoromethoxy)-6-methylphenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122079282
N-[2-(difluoromethoxy)-6-methylphenyl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 102559200
1-N-[2-(difluoromethoxy)-6-methylphenyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 56587113
1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide
CID 119053091
2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 62941573
(3R)-3-hydroxy-N-[2-(2-methylphenoxy)propyl]piperidine-1-carboxamide
CID 167822127
(3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide
CID 95665624
N-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
CID 154765435
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47223501

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide (CID 111111727) is N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide is Cc1cccc(OC(F)F)c1NC(=O)N1CCCC(O)C1.
What is the InChIKey of N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is WKHHDOSXUOVVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-9-4-2-6-11(21-13(15)16)12(9)17-14(20)18-7-3-5-10(19)8-18/h2,4,6,10,13,19H,3,5,7-8H2,1H3,(H,17,20).
What are the key properties of N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide?
N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 111111727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).