1-[3-(1-acetylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-cyclopentylpropan-1-one

C20H31N5O2 — CID 92625406

IUPAC1-[3-(1-acetylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-cyclopentylpropan-1-one
SMILESCC(=O)N1CCC(c2nnc3n2CCN(C(=O)CCC2CCCC2)C3)CC1
InChIInChI=1S/C20H31N5O2/c1-15(26)23-10-8-17(9-11-23)20-22-21-18-14-24(12-13-25(18)20)19(27)7-6-16-4-2-3-5-16/h16-17H,2-14H2,1H3
InChIKeyYYJMJBWRRGTPNS-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.32
Rot. Bonds4

About 1-[3-(1-acetylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-cyclopentylpropan-1-one

1-[3-(1-acetylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-cyclopentylpropan-1-one (PubChem CID 92625406) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[3-(1-acetylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-[3-(1-acetylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-cyclopentylpropan-1-one
PubChem CID92625406
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name1-[3-(1-acetylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-cyclopentylpropan-1-one
SMILESCC(=O)N1CCC(c2nnc3n2CCN(C(=O)CCC2CCCC2)C3)CC1
InChIInChI=1S/C20H31N5O2/c1-15(26)23-10-8-17(9-11-23)20-22-21-18-14-24(12-13-25(18)20)19(27)7-6-16-4-2-3-5-16/h16-17H,2-14H2,1H3
InChIKeyYYJMJBWRRGTPNS-UHFFFAOYSA-N
XLogP2.32
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(1-acetylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-cyclopentylpropan-1-one with MolForge

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Related Compounds

1-[3-[(3R)-1-acetylpiperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-cyclohexylethanone
CID 92625305
3-cyclopentyl-1-[3-(1-methylpiperidin-3-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]propan-1-one
CID 110260198
3-cyclopentyl-1-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
CID 110197746
1-[3-[1-(cyclohexylmethyl)piperidin-4-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone
CID 92624089
1-[4-[7-(4-chlorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone
CID 92622785
1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 128927567
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
4-[3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 16672214
2-carbazol-9-yl-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 16675009
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 75479285
4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide
CID 143680696
3-[(2S)-oxolan-2-yl]-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 95978215

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-acetylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-cyclopentylpropan-1-one?
The IUPAC name of 1-[3-(1-acetylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-cyclopentylpropan-1-one (CID 92625406) is 1-[3-(1-acetylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-[3-(1-acetylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-[3-(1-acetylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-cyclopentylpropan-1-one is CC(=O)N1CCC(c2nnc3n2CCN(C(=O)CCC2CCCC2)C3)CC1.
What is the InChIKey of 1-[3-(1-acetylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-cyclopentylpropan-1-one?
The InChIKey is YYJMJBWRRGTPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-15(26)23-10-8-17(9-11-23)20-22-21-18-14-24(12-13-25(18)20)19(27)7-6-16-4-2-3-5-16/h16-17H,2-14H2,1H3.
What are the key properties of 1-[3-(1-acetylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-cyclopentylpropan-1-one?
1-[3-(1-acetylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-cyclopentylpropan-1-one has a molecular weight of 373.50 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-acetylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-cyclopentylpropan-1-one is sourced from PubChem (CID 92625406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).