(3S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C15H20F3N3O2 — CID 97160125

IUPAC(3S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1ccc(O)c(CN2CCC[C@H](C(=O)NCC(F)(F)F)C2)n1
InChIInChI=1S/C15H20F3N3O2/c1-10-4-5-13(22)12(20-10)8-21-6-2-3-11(7-21)14(23)19-9-15(16,17)18/h4-5,11,22H,2-3,6-9H2,1H3,(H,19,23)/t11-/m0/s1
InChIKeyTWODYPVSDKQAGR-NSHDSACASA-N
MW331.34 g/mol
LogP1.99
Rot. Bonds4

About (3S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 97160125) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is (3S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID97160125
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name(3S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1ccc(O)c(CN2CCC[C@H](C(=O)NCC(F)(F)F)C2)n1
InChIInChI=1S/C15H20F3N3O2/c1-10-4-5-13(22)12(20-10)8-21-6-2-3-11(7-21)14(23)19-9-15(16,17)18/h4-5,11,22H,2-3,6-9H2,1H3,(H,19,23)/t11-/m0/s1
InChIKeyTWODYPVSDKQAGR-NSHDSACASA-N
XLogP1.99
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

2-[(3-ethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82977177
6-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-3-ol
CID 82962048
(3R)-1-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94819145
2-[(4-tert-butylazepan-1-yl)methyl]-6-methylpyridin-3-ol
CID 82981092
6-methyl-2-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]pyridin-3-ol
CID 75504151
(3R)-1-[(4-chlorophenyl)methyl]-N-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 100777778
(3R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42368186
2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82983735
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 82979654
2-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 80550845
(3S)-1-[[4-(3-chloropropoxy)-3-methoxyphenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 100625628
N-(2-aminoethyl)-1-[(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxamide
CID 63325355

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 97160125) is (3S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is Cc1ccc(O)c(CN2CCC[C@H](C(=O)NCC(F)(F)F)C2)n1.
What is the InChIKey of (3S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is TWODYPVSDKQAGR-NSHDSACASA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-10-4-5-13(22)12(20-10)8-21-6-2-3-11(7-21)14(23)19-9-15(16,17)18/h4-5,11,22H,2-3,6-9H2,1H3,(H,19,23)/t11-/m0/s1.
What are the key properties of (3S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 97160125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).