(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C14H20N6OS — CID 97074016

IUPAC(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCC[C@@H](c3nncn3C)C2)cs1
InChIInChI=1S/C14H20N6OS/c1-10-17-12(8-22-10)6-15-14(21)20-5-3-4-11(7-20)13-18-16-9-19(13)2/h8-9,11H,3-7H2,1-2H3,(H,15,21)/t11-/m1/s1
InChIKeyWKNJPQAYHBBADV-LLVKDONJSA-N
MW320.42 g/mol
LogP1.67
Rot. Bonds3

About (3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 97074016) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is (3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID97074016
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC Name(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCC[C@@H](c3nncn3C)C2)cs1
InChIInChI=1S/C14H20N6OS/c1-10-17-12(8-22-10)6-15-14(21)20-5-3-4-11(7-20)13-18-16-9-19(13)2/h8-9,11H,3-7H2,1-2H3,(H,15,21)/t11-/m1/s1
InChIKeyWKNJPQAYHBBADV-LLVKDONJSA-N
XLogP1.67
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 94172075
(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
CID 95278223
ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 61072127
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
CID 95129687
N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 94180666
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 97076083
(5-iodothiophen-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 78949850
1-[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 97195657
(3S)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 95134206
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1-carboxamide
CID 97076085
4-hydroxy-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
CID 79203756

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 97074016) is (3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is Cc1nc(CNC(=O)N2CCC[C@@H](c3nncn3C)C2)cs1.
What is the InChIKey of (3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is WKNJPQAYHBBADV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-10-17-12(8-22-10)6-15-14(21)20-5-3-4-11(7-20)13-18-16-9-19(13)2/h8-9,11H,3-7H2,1-2H3,(H,15,21)/t11-/m1/s1.
What are the key properties of (3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97074016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).