N-[4-chloro-3-(difluoromethoxy)phenyl]-3-hydroxy-4-methylpiperidine-1-carboxamide

C14H17ClF2N2O3 — CID 110021826

IUPACN-[4-chloro-3-(difluoromethoxy)phenyl]-3-hydroxy-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1O
InChIInChI=1S/C14H17ClF2N2O3/c1-8-4-5-19(7-11(8)20)14(21)18-9-2-3-10(15)12(6-9)22-13(16)17/h2-3,6,8,11,13,20H,4-5,7H2,1H3,(H,18,21)
InChIKeyBOGFLHQHXYOEMU-UHFFFAOYSA-N
MW334.75 g/mol
LogP3.18
Rot. Bonds3

About N-[4-chloro-3-(difluoromethoxy)phenyl]-3-hydroxy-4-methylpiperidine-1-carboxamide

N-[4-chloro-3-(difluoromethoxy)phenyl]-3-hydroxy-4-methylpiperidine-1-carboxamide (PubChem CID 110021826) has the molecular formula C14H17ClF2N2O3 and a molecular weight of 334.75 g/mol. Its IUPAC name is N-[4-chloro-3-(difluoromethoxy)phenyl]-3-hydroxy-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(difluoromethoxy)phenyl]-3-hydroxy-4-methylpiperidine-1-carboxamide
PubChem CID110021826
Molecular FormulaC14H17ClF2N2O3
Molecular Weight334.75 g/mol
Exact Mass334.09
IUPAC NameN-[4-chloro-3-(difluoromethoxy)phenyl]-3-hydroxy-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1O
InChIInChI=1S/C14H17ClF2N2O3/c1-8-4-5-19(7-11(8)20)14(21)18-9-2-3-10(15)12(6-9)22-13(16)17/h2-3,6,8,11,13,20H,4-5,7H2,1H3,(H,18,21)
InChIKeyBOGFLHQHXYOEMU-UHFFFAOYSA-N
XLogP3.18
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(difluoromethoxy)phenyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 75451518
N-[4-chloro-3-(difluoromethoxy)phenyl]-4-cyanopiperidine-1-carboxamide
CID 84599160
2-[[4-chloro-3-(difluoromethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120977324
3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
N-[4-chloro-3-(difluoromethoxy)phenyl]-2-(dimethylamino)acetamide
CID 86805225
N-(3-acetylphenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896288
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112824546
4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 79867440
3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide
CID 102964223
N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585
(3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 124615460
3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 75451514

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(difluoromethoxy)phenyl]-3-hydroxy-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[4-chloro-3-(difluoromethoxy)phenyl]-3-hydroxy-4-methylpiperidine-1-carboxamide (CID 110021826) is N-[4-chloro-3-(difluoromethoxy)phenyl]-3-hydroxy-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(difluoromethoxy)phenyl]-3-hydroxy-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-(difluoromethoxy)phenyl]-3-hydroxy-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1O.
What is the InChIKey of N-[4-chloro-3-(difluoromethoxy)phenyl]-3-hydroxy-4-methylpiperidine-1-carboxamide?
The InChIKey is BOGFLHQHXYOEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N2O3/c1-8-4-5-19(7-11(8)20)14(21)18-9-2-3-10(15)12(6-9)22-13(16)17/h2-3,6,8,11,13,20H,4-5,7H2,1H3,(H,18,21).
What are the key properties of N-[4-chloro-3-(difluoromethoxy)phenyl]-3-hydroxy-4-methylpiperidine-1-carboxamide?
N-[4-chloro-3-(difluoromethoxy)phenyl]-3-hydroxy-4-methylpiperidine-1-carboxamide has a molecular weight of 334.75 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(difluoromethoxy)phenyl]-3-hydroxy-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 110021826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).