(3R)-1-[2-(difluoromethoxy)-3-methoxybenzoyl]piperidine-3-carboxamide

C15H18F2N2O4 — CID 94870214

IUPAC(3R)-1-[2-(difluoromethoxy)-3-methoxybenzoyl]piperidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1OC(F)F
InChIInChI=1S/C15H18F2N2O4/c1-22-11-6-2-5-10(12(11)23-15(16)17)14(21)19-7-3-4-9(8-19)13(18)20/h2,5-6,9,15H,3-4,7-8H2,1H3,(H2,18,20)/t9-/m1/s1
InChIKeyVSXUUCTUZBJOGT-SECBINFHSA-N
MW328.31 g/mol
LogP1.63
Rot. Bonds5

About (3R)-1-[2-(difluoromethoxy)-3-methoxybenzoyl]piperidine-3-carboxamide

(3R)-1-[2-(difluoromethoxy)-3-methoxybenzoyl]piperidine-3-carboxamide (PubChem CID 94870214) has the molecular formula C15H18F2N2O4 and a molecular weight of 328.31 g/mol. Its IUPAC name is (3R)-1-[2-(difluoromethoxy)-3-methoxybenzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(difluoromethoxy)-3-methoxybenzoyl]piperidine-3-carboxamide
PubChem CID94870214
Molecular FormulaC15H18F2N2O4
Molecular Weight328.31 g/mol
Exact Mass328.12
IUPAC Name(3R)-1-[2-(difluoromethoxy)-3-methoxybenzoyl]piperidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1OC(F)F
InChIInChI=1S/C15H18F2N2O4/c1-22-11-6-2-5-10(12(11)23-15(16)17)14(21)19-7-3-4-9(8-19)13(18)20/h2,5-6,9,15H,3-4,7-8H2,1H3,(H2,18,20)/t9-/m1/s1
InChIKeyVSXUUCTUZBJOGT-SECBINFHSA-N
XLogP1.63
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[2-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride
CID 119413193
1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide
CID 46416186
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
[4-[2-(difluoromethoxy)-3-methoxybenzoyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 78848632
(3S)-1-(2,3,4-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113565
1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18124202
[(3R)-3-aminopyrrolidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone
CID 119409468
1-(2-hydroxy-3-methoxybenzoyl)piperidine-3-carboxylic acid
CID 24705711
N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
CID 119405060
[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 55510978
N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119626021
1-[2-(difluoromethoxy)benzoyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 55640170

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(difluoromethoxy)-3-methoxybenzoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(difluoromethoxy)-3-methoxybenzoyl]piperidine-3-carboxamide (CID 94870214) is (3R)-1-[2-(difluoromethoxy)-3-methoxybenzoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(difluoromethoxy)-3-methoxybenzoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(difluoromethoxy)-3-methoxybenzoyl]piperidine-3-carboxamide is COc1cccc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1OC(F)F.
What is the InChIKey of (3R)-1-[2-(difluoromethoxy)-3-methoxybenzoyl]piperidine-3-carboxamide?
The InChIKey is VSXUUCTUZBJOGT-SECBINFHSA-N. The full InChI is InChI=1S/C15H18F2N2O4/c1-22-11-6-2-5-10(12(11)23-15(16)17)14(21)19-7-3-4-9(8-19)13(18)20/h2,5-6,9,15H,3-4,7-8H2,1H3,(H2,18,20)/t9-/m1/s1.
What are the key properties of (3R)-1-[2-(difluoromethoxy)-3-methoxybenzoyl]piperidine-3-carboxamide?
(3R)-1-[2-(difluoromethoxy)-3-methoxybenzoyl]piperidine-3-carboxamide has a molecular weight of 328.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(difluoromethoxy)-3-methoxybenzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 94870214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).