N-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide

C12H16N6O2 — CID 81170009

IUPACN-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCc1ccon1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C12H16N6O2/c19-12(14-7-9-3-6-20-16-9)11-8-18(17-15-11)10-1-4-13-5-2-10/h3,6,8,10,13H,1-2,4-5,7H2,(H,14,19)
InChIKeyMCTINYTWDMKTJV-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.12
Rot. Bonds4

About N-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 81170009) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID81170009
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCc1ccon1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C12H16N6O2/c19-12(14-7-9-3-6-20-16-9)11-8-18(17-15-11)10-1-4-13-5-2-10/h3,6,8,10,13H,1-2,4-5,7H2,(H,14,19)
InChIKeyMCTINYTWDMKTJV-UHFFFAOYSA-N
XLogP0.12
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284437
N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119727861
N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284576
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284575
1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide
CID 63284483
N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119686694
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 106381319
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 81170009) is N-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide is O=C(NCc1ccon1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is MCTINYTWDMKTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c19-12(14-7-9-3-6-20-16-9)11-8-18(17-15-11)10-1-4-13-5-2-10/h3,6,8,10,13H,1-2,4-5,7H2,(H,14,19).
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 81170009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).