2-[3-[4-(cyclopentanecarbonyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C19H31N5O2 — CID 134801076

IUPAC2-[3-[4-(cyclopentanecarbonyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(C1CCCC1)N1CCN(CCCn2nc3n(c2=O)CCCC3)CC1
InChIInChI=1S/C19H31N5O2/c25-18(16-6-1-2-7-16)22-14-12-21(13-15-22)9-5-11-24-19(26)23-10-4-3-8-17(23)20-24/h16H,1-15H2
InChIKeyACKBQBKLASTMMK-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.11
Rot. Bonds5

About 2-[3-[4-(cyclopentanecarbonyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[3-[4-(cyclopentanecarbonyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 134801076) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[3-[4-(cyclopentanecarbonyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[4-(cyclopentanecarbonyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID134801076
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name2-[3-[4-(cyclopentanecarbonyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(C1CCCC1)N1CCN(CCCn2nc3n(c2=O)CCCC3)CC1
InChIInChI=1S/C19H31N5O2/c25-18(16-6-1-2-7-16)22-14-12-21(13-15-22)9-5-11-24-19(26)23-10-4-3-8-17(23)20-24/h16H,1-15H2
InChIKeyACKBQBKLASTMMK-UHFFFAOYSA-N
XLogP1.11
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(cyclopentanecarbonyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[3-[4-(cyclopentanecarbonyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 134801076) is 2-[3-[4-(cyclopentanecarbonyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[3-[4-(cyclopentanecarbonyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[3-[4-(cyclopentanecarbonyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C(C1CCCC1)N1CCN(CCCn2nc3n(c2=O)CCCC3)CC1.
What is the InChIKey of 2-[3-[4-(cyclopentanecarbonyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is ACKBQBKLASTMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c25-18(16-6-1-2-7-16)22-14-12-21(13-15-22)9-5-11-24-19(26)23-10-4-3-8-17(23)20-24/h16H,1-15H2.
What are the key properties of 2-[3-[4-(cyclopentanecarbonyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[3-[4-(cyclopentanecarbonyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 361.49 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(cyclopentanecarbonyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 134801076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).