1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one

C13H20N4O — CID 126758367

IUPAC1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2nncn2C2CC2)CC1
InChIInChI=1S/C13H20N4O/c1-2-12(18)16-7-5-10(6-8-16)13-15-14-9-17(13)11-3-4-11/h9-11H,2-8H2,1H3
InChIKeyRREPARCVMCTSFO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.73
Rot. Bonds3

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

1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 126758367) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
PubChem CID126758367
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2nncn2C2CC2)CC1
InChIInChI=1S/C13H20N4O/c1-2-12(18)16-7-5-10(6-8-16)13-15-14-9-17(13)11-3-4-11/h9-11H,2-8H2,1H3
InChIKeyRREPARCVMCTSFO-UHFFFAOYSA-N
XLogP1.73
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 97212109
1-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one
CID 110405340
[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 136524748
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 95841300
methyl 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropanoate
CID 134069581
3-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
CID 103552376
5-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 134069580
1-[3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-methyl-3-oxopropyl]-4-methylpyridin-2-one
CID 139005753
2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 51943549
[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 91914661
3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide
CID 91914758
(5-bromofuran-2-yl)-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 91914668

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one (CID 126758367) is 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2nncn2C2CC2)CC1.
What is the InChIKey of 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is RREPARCVMCTSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-12(18)16-7-5-10(6-8-16)13-15-14-9-17(13)11-3-4-11/h9-11H,2-8H2,1H3.
What are the key properties of 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one?
1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126758367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).