[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone

C17H19N5OS — CID 154773758

IUPAC[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
SMILESCn1cnnc1C1CCCN(C(=O)c2sccc2-n2cccc2)C1
InChIInChI=1S/C17H19N5OS/c1-20-12-18-19-16(20)13-5-4-9-22(11-13)17(23)15-14(6-10-24-15)21-7-2-3-8-21/h2-3,6-8,10,12-13H,4-5,9,11H2,1H3
InChIKeyRIHZVNWZZHHPKU-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.69
Rot. Bonds3

About [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone

[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone (PubChem CID 154773758) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
PubChem CID154773758
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
SMILESCn1cnnc1C1CCCN(C(=O)c2sccc2-n2cccc2)C1
InChIInChI=1S/C17H19N5OS/c1-20-12-18-19-16(20)13-5-4-9-22(11-13)17(23)15-14(6-10-24-15)21-7-2-3-8-21/h2-3,6-8,10,12-13H,4-5,9,11H2,1H3
InChIKeyRIHZVNWZZHHPKU-UHFFFAOYSA-N
XLogP2.69
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 107224289
(5-iodothiophen-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 78949850
(3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 106671096
N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide
CID 24624840
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 94172075
(3R)-N-[(3-methylthiophen-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97073252
[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
CID 124626295
(2-bromo-4-pyridinyl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 103754456
1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 94177443
(4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 61108625
ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 61072127
N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 94180666

Frequently Asked Questions

What is the IUPAC name of [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone?
The IUPAC name of [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone (CID 154773758) is [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone.
What is the SMILES notation for [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone?
The canonical SMILES for [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone is Cn1cnnc1C1CCCN(C(=O)c2sccc2-n2cccc2)C1.
What is the InChIKey of [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone?
The InChIKey is RIHZVNWZZHHPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-20-12-18-19-16(20)13-5-4-9-22(11-13)17(23)15-14(6-10-24-15)21-7-2-3-8-21/h2-3,6-8,10,12-13H,4-5,9,11H2,1H3.
What are the key properties of [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone?
[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone has a molecular weight of 341.44 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone is sourced from PubChem (CID 154773758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).