(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide

C14H18F2N2O3 — CID 81119085

IUPAC(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide
SMILESCOc1ccc(OC(F)F)c(NC(=O)[C@@H]2CCCNC2)c1
InChIInChI=1S/C14H18F2N2O3/c1-20-10-4-5-12(21-14(15)16)11(7-10)18-13(19)9-3-2-6-17-8-9/h4-5,7,9,14,17H,2-3,6,8H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyKQLREBHMBZTLMI-SECBINFHSA-N
MW300.30 g/mol
LogP2.23
Rot. Bonds5

About (3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide

(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide (PubChem CID 81119085) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.30 g/mol. Its IUPAC name is (3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide
PubChem CID81119085
Molecular FormulaC14H18F2N2O3
Molecular Weight300.30 g/mol
Exact Mass300.13
IUPAC Name(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide
SMILESCOc1ccc(OC(F)F)c(NC(=O)[C@@H]2CCCNC2)c1
InChIInChI=1S/C14H18F2N2O3/c1-20-10-4-5-12(21-14(15)16)11(7-10)18-13(19)9-3-2-6-17-8-9/h4-5,7,9,14,17H,2-3,6,8H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyKQLREBHMBZTLMI-SECBINFHSA-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

N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide
CID 43706019
(2S,4S)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621299
(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
N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 119336082
(3R)-N-[4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 81123871
(3S)-N-(5-bromo-2-methoxyphenyl)piperidine-3-carboxamide
CID 81140921
N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 61260908
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809
N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119272446
N-(5-chloro-2,4-dimethoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265918
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide (CID 81119085) is (3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide is COc1ccc(OC(F)F)c(NC(=O)[C@@H]2CCCNC2)c1.
What is the InChIKey of (3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide?
The InChIKey is KQLREBHMBZTLMI-SECBINFHSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-20-10-4-5-12(21-14(15)16)11(7-10)18-13(19)9-3-2-6-17-8-9/h4-5,7,9,14,17H,2-3,6,8H2,1H3,(H,18,19)/t9-/m1/s1.
What are the key properties of (3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide?
(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-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 (3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide is sourced from PubChem (CID 81119085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).