[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone

C18H19N5O2S — CID 74240062

IUPAC[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(-n2cnnc2)n1)N1CCC(C(O)c2cccs2)CC1
InChIInChI=1S/C18H19N5O2S/c24-17(15-4-2-10-26-15)13-6-8-22(9-7-13)18(25)14-3-1-5-16(21-14)23-11-19-20-12-23/h1-5,10-13,17,24H,6-9H2
InChIKeyBVBXFCOAIVGKEB-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.31
Rot. Bonds4

About [4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone

[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone (PubChem CID 74240062) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is [4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone
PubChem CID74240062
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(-n2cnnc2)n1)N1CCC(C(O)c2cccs2)CC1
InChIInChI=1S/C18H19N5O2S/c24-17(15-4-2-10-26-15)13-6-8-22(9-7-13)18(25)14-3-1-5-16(21-14)23-11-19-20-12-23/h1-5,10-13,17,24H,6-9H2
InChIKeyBVBXFCOAIVGKEB-UHFFFAOYSA-N
XLogP2.31
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone with MolForge

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Related Compounds

[4-[1-(2,3-dihydroxypropyl)piperidin-4-yl]piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone
CID 154816909
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone
CID 95209630
[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-isoquinolin-5-ylmethanone
CID 95559763
[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone
CID 131940108
[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 42454113
6-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 119061216
3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone
CID 126438461
[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 72850348
[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 97113772
cyclopentyl(thiophen-2-yl)methanol
CID 43753540
[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone
CID 97129509
[4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 106838767

Frequently Asked Questions

What is the IUPAC name of [4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone?
The IUPAC name of [4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone (CID 74240062) is [4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone?
The canonical SMILES for [4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone is O=C(c1cccc(-n2cnnc2)n1)N1CCC(C(O)c2cccs2)CC1.
What is the InChIKey of [4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone?
The InChIKey is BVBXFCOAIVGKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c24-17(15-4-2-10-26-15)13-6-8-22(9-7-13)18(25)14-3-1-5-16(21-14)23-11-19-20-12-23/h1-5,10-13,17,24H,6-9H2.
What are the key properties of [4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone?
[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone has a molecular weight of 369.45 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 74240062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).