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

C15H26N6O — CID 118794592

IUPAC3-(1-methylpiperidin-4-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
SMILESCN1CCC(CCC(=O)N2CCN(c3ncn[nH]3)CC2)CC1
InChIInChI=1S/C15H26N6O/c1-19-6-4-13(5-7-19)2-3-14(22)20-8-10-21(11-9-20)15-16-12-17-18-15/h12-13H,2-11H2,1H3,(H,16,17,18)
InChIKeyZPPWGSZPEICKLO-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.58
Rot. Bonds4

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

3-(1-methylpiperidin-4-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one (PubChem CID 118794592) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
PubChem CID118794592
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name3-(1-methylpiperidin-4-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
SMILESCN1CCC(CCC(=O)N2CCN(c3ncn[nH]3)CC2)CC1
InChIInChI=1S/C15H26N6O/c1-19-6-4-13(5-7-19)2-3-14(22)20-8-10-21(11-9-20)15-16-12-17-18-15/h12-13H,2-11H2,1H3,(H,16,17,18)
InChIKeyZPPWGSZPEICKLO-UHFFFAOYSA-N
XLogP0.58
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
CID 141318848
2-[(3R)-oxan-3-yl]-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]ethanone
CID 125157593
3-(1-methylpyrrol-2-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
CID 118789724
2-ethylsulfanyl-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]ethanone
CID 118769757
1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
CID 119068341
[(1S,2R)-2-butylcyclopropyl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 119061428
1-(4-aminopiperazin-1-yl)-3-(1-methylpyrrolidin-3-yl)propan-1-one
CID 167474650
3-[(3R)-1-methylpiperidin-3-yl]-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 97189893
3-(1-methylpiperidin-3-yl)-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 72852191
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561520
3-[(3S)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 95103142

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one (CID 118794592) is 3-(1-methylpiperidin-4-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one is CN1CCC(CCC(=O)N2CCN(c3ncn[nH]3)CC2)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one?
The InChIKey is ZPPWGSZPEICKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c1-19-6-4-13(5-7-19)2-3-14(22)20-8-10-21(11-9-20)15-16-12-17-18-15/h12-13H,2-11H2,1H3,(H,16,17,18).
What are the key properties of 3-(1-methylpiperidin-4-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one?
3-(1-methylpiperidin-4-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one has a molecular weight of 306.41 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 118794592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).