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

C18H29N5O2 — CID 134802754

IUPAC2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(C1CCCC1)N1CCN(CCn2nc3n(c2=O)CCCC3)CC1
InChIInChI=1S/C18H29N5O2/c24-17(15-5-1-2-6-15)21-12-9-20(10-13-21)11-14-23-18(25)22-8-4-3-7-16(22)19-23/h15H,1-14H2
InChIKeyDMMKGBBXZDVXQQ-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.72
Rot. Bonds4

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

2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 134802754) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID134802754
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(C1CCCC1)N1CCN(CCn2nc3n(c2=O)CCCC3)CC1
InChIInChI=1S/C18H29N5O2/c24-17(15-5-1-2-6-15)21-12-9-20(10-13-21)11-14-23-18(25)22-8-4-3-7-16(22)19-23/h15H,1-14H2
InChIKeyDMMKGBBXZDVXQQ-UHFFFAOYSA-N
XLogP0.72
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 134802754) is 2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C(C1CCCC1)N1CCN(CCn2nc3n(c2=O)CCCC3)CC1.
What is the InChIKey of 2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is DMMKGBBXZDVXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c24-17(15-5-1-2-6-15)21-12-9-20(10-13-21)11-14-23-18(25)22-8-4-3-7-16(22)19-23/h15H,1-14H2.
What are the key properties of 2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 347.46 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 134802754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).