(3R,6R)-1-[5-(difluoromethoxy)-2-pyridinyl]-6-methylpiperidine-3-carboxamide

C13H17F2N3O2 — CID 99857708

IUPAC(3R,6R)-1-[5-(difluoromethoxy)-2-pyridinyl]-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@@H](C(N)=O)CN1c1ccc(OC(F)F)cn1
InChIInChI=1S/C13H17F2N3O2/c1-8-2-3-9(12(16)19)7-18(8)11-5-4-10(6-17-11)20-13(14)15/h4-6,8-9,13H,2-3,7H2,1H3,(H2,16,19)/t8-,9-/m1/s1
InChIKeyCFQKWLLTOZSHSY-RKDXNWHRSA-N
MW285.29 g/mol
LogP1.77
Rot. Bonds4

About (3R,6R)-1-[5-(difluoromethoxy)-2-pyridinyl]-6-methylpiperidine-3-carboxamide

(3R,6R)-1-[5-(difluoromethoxy)-2-pyridinyl]-6-methylpiperidine-3-carboxamide (PubChem CID 99857708) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is (3R,6R)-1-[5-(difluoromethoxy)-2-pyridinyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6R)-1-[5-(difluoromethoxy)-2-pyridinyl]-6-methylpiperidine-3-carboxamide
PubChem CID99857708
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name(3R,6R)-1-[5-(difluoromethoxy)-2-pyridinyl]-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@@H](C(N)=O)CN1c1ccc(OC(F)F)cn1
InChIInChI=1S/C13H17F2N3O2/c1-8-2-3-9(12(16)19)7-18(8)11-5-4-10(6-17-11)20-13(14)15/h4-6,8-9,13H,2-3,7H2,1H3,(H2,16,19)/t8-,9-/m1/s1
InChIKeyCFQKWLLTOZSHSY-RKDXNWHRSA-N
XLogP1.77
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[5-(difluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 120964902
(3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 99857715
[6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate
CID 174191038
(3S,6R)-6-methyl-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide
CID 129437202
6-methyl-1-(6-propanoyl-3-pyridinyl)piperidine-3-carboxamide
CID 115938958
1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide
CID 107544065
4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 54988866
(3R,6R)-1-[(2S)-2-(3,4-difluorophenoxy)propanoyl]-6-methylpiperidine-3-carboxamide
CID 98728668
1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
CID 80806637
1-(5-amino-1H-pyrazol-4-yl)-6-methylpiperidine-3-carboxamide
CID 82235443
1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 114288364
1-[5-(difluoromethoxy)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122052517

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1-[5-(difluoromethoxy)-2-pyridinyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,6R)-1-[5-(difluoromethoxy)-2-pyridinyl]-6-methylpiperidine-3-carboxamide (CID 99857708) is (3R,6R)-1-[5-(difluoromethoxy)-2-pyridinyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6R)-1-[5-(difluoromethoxy)-2-pyridinyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6R)-1-[5-(difluoromethoxy)-2-pyridinyl]-6-methylpiperidine-3-carboxamide is C[C@@H]1CC[C@@H](C(N)=O)CN1c1ccc(OC(F)F)cn1.
What is the InChIKey of (3R,6R)-1-[5-(difluoromethoxy)-2-pyridinyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is CFQKWLLTOZSHSY-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-8-2-3-9(12(16)19)7-18(8)11-5-4-10(6-17-11)20-13(14)15/h4-6,8-9,13H,2-3,7H2,1H3,(H2,16,19)/t8-,9-/m1/s1.
What are the key properties of (3R,6R)-1-[5-(difluoromethoxy)-2-pyridinyl]-6-methylpiperidine-3-carboxamide?
(3R,6R)-1-[5-(difluoromethoxy)-2-pyridinyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 285.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1-[5-(difluoromethoxy)-2-pyridinyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 99857708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).