1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one

C14H24N4O — CID 126831327

IUPAC1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Cc2nc(C(C)C)n[nH]2)CC1
InChIInChI=1S/C14H24N4O/c1-4-13(19)18-7-5-11(6-8-18)9-12-15-14(10(2)3)17-16-12/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyUXHXIVPLHPARGA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.12
Rot. Bonds4

About 1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one

1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 126831327) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID126831327
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Cc2nc(C(C)C)n[nH]2)CC1
InChIInChI=1S/C14H24N4O/c1-4-13(19)18-7-5-11(6-8-18)9-12-15-14(10(2)3)17-16-12/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyUXHXIVPLHPARGA-UHFFFAOYSA-N
XLogP2.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxamide
CID 645940
4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine
CID 53192491
1-acetyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide
CID 43051664
1-isobutyl-4-(3-isobutyl-1H-1,2,4-triazol-5-yl)pyrrolidin-2-one
CID 50948113
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-isobutylpyrrolidin-2-one
CID 50956691
N-cyclopropyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-ethylacetamide
CID 53585275
2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 53598093
1-[4-(1-piperidinyl)butanoyl]-4-(4H-1,2,4-triazol-3-yl)piperidine
CID 72871952
1-ethyl-3-methyl-N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)ethyl]-3-piperidinecarboxamide
CID 72896844
4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide
CID 75463312
cyclobutyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 110196457
tert-butyl 4-[3-(aminomethyl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxylate
CID 66486780

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one (CID 126831327) is 1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(Cc2nc(C(C)C)n[nH]2)CC1.
What is the InChIKey of 1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is UXHXIVPLHPARGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-13(19)18-7-5-11(6-8-18)9-12-15-14(10(2)3)17-16-12/h10-11H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one?
1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 264.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126831327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).