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

C20H25ClN4O2 — CID 15105360

IUPAC2-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(c1ccc(Cl)cc1)C1CCN(CCn2nc3n(c2=O)CCCC3)CC1
InChIInChI=1S/C20H25ClN4O2/c21-17-6-4-15(5-7-17)19(26)16-8-11-23(12-9-16)13-14-25-20(27)24-10-2-1-3-18(24)22-25/h4-7,16H,1-3,8-14H2
InChIKeyNOHBWVSVESSSGL-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.63
Rot. Bonds5

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

2-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 15105360) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID15105360
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name2-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(c1ccc(Cl)cc1)C1CCN(CCn2nc3n(c2=O)CCCC3)CC1
InChIInChI=1S/C20H25ClN4O2/c21-17-6-4-15(5-7-17)19(26)16-8-11-23(12-9-16)13-14-25-20(27)24-10-2-1-3-18(24)22-25/h4-7,16H,1-3,8-14H2
InChIKeyNOHBWVSVESSSGL-UHFFFAOYSA-N
XLogP2.63
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-chlorobenzoyl)piperidin-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-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 15105360) is 2-[2-[4-(4-chlorobenzoyl)piperidin-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-(4-chlorobenzoyl)piperidin-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-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C(c1ccc(Cl)cc1)C1CCN(CCn2nc3n(c2=O)CCCC3)CC1.
What is the InChIKey of 2-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is NOHBWVSVESSSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c21-17-6-4-15(5-7-17)19(26)16-8-11-23(12-9-16)13-14-25-20(27)24-10-2-1-3-18(24)22-25/h4-7,16H,1-3,8-14H2.
What are the key properties of 2-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 388.90 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 15105360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).