N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide

C14H18F2N2O3 — CID 43706019

IUPACN-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide
SMILESCOc1ccc(OC(F)F)c(NC(=O)C2CCNCC2)c1
InChIInChI=1S/C14H18F2N2O3/c1-20-10-2-3-12(21-14(15)16)11(8-10)18-13(19)9-4-6-17-7-5-9/h2-3,8-9,14,17H,4-7H2,1H3,(H,18,19)
InChIKeyUSRKTJOOGZEZTP-UHFFFAOYSA-N
MW300.30 g/mol
LogP2.23
Rot. Bonds5

About N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide

N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide (PubChem CID 43706019) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.30 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide
PubChem CID43706019
Molecular FormulaC14H18F2N2O3
Molecular Weight300.30 g/mol
Exact Mass300.13
IUPAC NameN-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide
SMILESCOc1ccc(OC(F)F)c(NC(=O)C2CCNCC2)c1
InChIInChI=1S/C14H18F2N2O3/c1-20-10-2-3-12(21-14(15)16)11(8-10)18-13(19)9-4-6-17-7-5-9/h2-3,8-9,14,17H,4-7H2,1H3,(H,18,19)
InChIKeyUSRKTJOOGZEZTP-UHFFFAOYSA-N
XLogP2.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide
CID 81119085
(2S,4S)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621299
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide
CID 64593385
2-(cyclopropylamino)-N-[2-(difluoromethoxy)-5-methoxyphenyl]acetamide
CID 60841268
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide
CID 60927755
(3S)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide
CID 99775759
(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide
CID 99775760
2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]propanamide
CID 107903735
N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide
CID 54967697
2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide
CID 62856668
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-methylbutanamide
CID 43698620

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide (CID 43706019) is N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide is COc1ccc(OC(F)F)c(NC(=O)C2CCNCC2)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide?
The InChIKey is USRKTJOOGZEZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-20-10-2-3-12(21-14(15)16)11(8-10)18-13(19)9-4-6-17-7-5-9/h2-3,8-9,14,17H,4-7H2,1H3,(H,18,19).
What are the key properties of N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide?
N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide has a molecular weight of 300.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide is sourced from PubChem (CID 43706019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).