[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone

C19H21N5O2 — CID 56754610

IUPAC[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccc4c(c3)nnn4C)CC2)nc1
InChIInChI=1S/C19H21N5O2/c1-13-3-6-17(20-12-13)19(26)7-9-24(10-8-19)18(25)14-4-5-16-15(11-14)21-22-23(16)2/h3-6,11-12,26H,7-10H2,1-2H3
InChIKeySKVSLMOKQGBUCC-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.80
Rot. Bonds2

About [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone (PubChem CID 56754610) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
PubChem CID56754610
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccc4c(c3)nnn4C)CC2)nc1
InChIInChI=1S/C19H21N5O2/c1-13-3-6-17(20-12-13)19(26)7-9-24(10-8-19)18(25)14-4-5-16-15(11-14)21-22-23(16)2/h3-6,11-12,26H,7-10H2,1-2H3
InChIKeySKVSLMOKQGBUCC-UHFFFAOYSA-N
XLogP1.80
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
CID 157014393
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone
CID 121498872
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 118787840
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 56741927
[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
CID 96500738
(4-amino-2-pyridinyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 56752037
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 56742882
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone
CID 56747203
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 56740554
2-amino-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 56747551
(3-amino-1H-pyrazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 56741023
2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]pyridine-4-carboxamide
CID 56757810

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone?
The IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone (CID 56754610) is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone.
What is the SMILES notation for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone?
The canonical SMILES for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone is Cc1ccc(C2(O)CCN(C(=O)c3ccc4c(c3)nnn4C)CC2)nc1.
What is the InChIKey of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone?
The InChIKey is SKVSLMOKQGBUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-3-6-17(20-12-13)19(26)7-9-24(10-8-19)18(25)14-4-5-16-15(11-14)21-22-23(16)2/h3-6,11-12,26H,7-10H2,1-2H3.
What are the key properties of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone?
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone is sourced from PubChem (CID 56754610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).