2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone

C18H19N5O2 — CID 99937481

IUPAC2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCC([C@@H](O)c2ccccn2)CC1
InChIInChI=1S/C18H19N5O2/c24-17(15-3-1-2-8-19-15)12-6-9-23(10-7-12)18(25)13-4-5-14-16(11-13)21-22-20-14/h1-5,8,11-12,17,24H,6-7,9-10H2,(H,20,21,22)/t17-/m1/s1
InChIKeyLOVNQUAUAHCZQT-QGZVFWFLSA-N
MW337.38 g/mol
LogP1.94
Rot. Bonds3

About 2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone

2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 99937481) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID99937481
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCC([C@@H](O)c2ccccn2)CC1
InChIInChI=1S/C18H19N5O2/c24-17(15-3-1-2-8-19-15)12-6-9-23(10-7-12)18(25)13-4-5-14-16(11-13)21-22-20-14/h1-5,8,11-12,17,24H,6-7,9-10H2,(H,20,21,22)/t17-/m1/s1
InChIKeyLOVNQUAUAHCZQT-QGZVFWFLSA-N
XLogP1.94
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3-hydroxyphenyl)phenyl]-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 119062941
7-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one
CID 99933809
2H-benzotriazol-5-yl-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 77096803
[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 95124482
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(4-pyrazolidin-3-ylphenyl)methanone
CID 75590068
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 91772101
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 70704336
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 77091494
1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 90651890
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 125171269
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 90650827
2H-benzotriazol-5-yl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029470

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of 2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone (CID 99937481) is 2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone is O=C(c1ccc2n[nH]nc2c1)N1CCC([C@@H](O)c2ccccn2)CC1.
What is the InChIKey of 2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is LOVNQUAUAHCZQT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-17(15-3-1-2-8-19-15)12-6-9-23(10-7-12)18(25)13-4-5-14-16(11-13)21-22-20-14/h1-5,8,11-12,17,24H,6-7,9-10H2,(H,20,21,22)/t17-/m1/s1.
What are the key properties of 2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone?
2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 337.38 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 99937481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).