(2-hydroxyphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]-2-methylpiperidin-1-yl]methanone

C19H26N4O3 — CID 145074246

IUPAC(2-hydroxyphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]-2-methylpiperidin-1-yl]methanone
SMILESCc1nn([C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3O)C2)nc1C(C)(C)O
InChIInChI=1S/C19H26N4O3/c1-12-9-10-14(23-20-13(2)17(21-23)19(3,4)26)11-22(12)18(25)15-7-5-6-8-16(15)24/h5-8,12,14,24,26H,9-11H2,1-4H3/t12-,14-/m1/s1
InChIKeyKTCDSAXEGOWVEF-TZMCWYRMSA-N
MW358.44 g/mol
LogP2.39
Rot. Bonds3

About (2-hydroxyphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]-2-methylpiperidin-1-yl]methanone

(2-hydroxyphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]-2-methylpiperidin-1-yl]methanone (PubChem CID 145074246) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]-2-methylpiperidin-1-yl]methanone
PubChem CID145074246
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(2-hydroxyphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]-2-methylpiperidin-1-yl]methanone
SMILESCc1nn([C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3O)C2)nc1C(C)(C)O
InChIInChI=1S/C19H26N4O3/c1-12-9-10-14(23-20-13(2)17(21-23)19(3,4)26)11-22(12)18(25)15-7-5-6-8-16(15)24/h5-8,12,14,24,26H,9-11H2,1-4H3/t12-,14-/m1/s1
InChIKeyKTCDSAXEGOWVEF-TZMCWYRMSA-N
XLogP2.39
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-ethoxyphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]-2-methylpiperidin-1-yl]methanone
CID 121314105
[2-(difluoromethoxy)phenyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone
CID 121305922
[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)tetrazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 121314107
ethyl 5-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]triazole-4-carboxylate
CID 121314194
[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 121314176
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
[2-(difluoromethoxy)phenyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]methanone
CID 121314187
[4-fluoro-2-(triazol-2-yl)phenyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone
CID 121314126
[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone
CID 121314149
(2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone
CID 97092730
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2-hydroxyphenyl)methanone
CID 81211637
methyl 2-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2-thiazol-3-yl]-2-methylpiperidine-1-carbonyl]benzoate
CID 121305883

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]-2-methylpiperidin-1-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]-2-methylpiperidin-1-yl]methanone (CID 145074246) is (2-hydroxyphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]-2-methylpiperidin-1-yl]methanone is Cc1nn([C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3O)C2)nc1C(C)(C)O.
What is the InChIKey of (2-hydroxyphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]-2-methylpiperidin-1-yl]methanone?
The InChIKey is KTCDSAXEGOWVEF-TZMCWYRMSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12-9-10-14(23-20-13(2)17(21-23)19(3,4)26)11-22(12)18(25)15-7-5-6-8-16(15)24/h5-8,12,14,24,26H,9-11H2,1-4H3/t12-,14-/m1/s1.
What are the key properties of (2-hydroxyphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]-2-methylpiperidin-1-yl]methanone?
(2-hydroxyphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]-2-methylpiperidin-1-yl]methanone has a molecular weight of 358.44 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 145074246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).