1-benzyl-4-(4-benzyl-5-oxo-1,2,4-triazol-1-yl)piperidin-2-one

C21H22N4O2 — CID 172552727

IUPAC1-benzyl-4-(4-benzyl-5-oxo-1,2,4-triazol-1-yl)piperidin-2-one
SMILESO=C1CC(n2ncn(Cc3ccccc3)c2=O)CCN1Cc1ccccc1
InChIInChI=1S/C21H22N4O2/c26-20-13-19(11-12-23(20)14-17-7-3-1-4-8-17)25-21(27)24(16-22-25)15-18-9-5-2-6-10-18/h1-10,16,19H,11-15H2
InChIKeyCQEJNPLAYZUZHT-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.46
Rot. Bonds5

About 1-benzyl-4-(4-benzyl-5-oxo-1,2,4-triazol-1-yl)piperidin-2-one

1-benzyl-4-(4-benzyl-5-oxo-1,2,4-triazol-1-yl)piperidin-2-one (PubChem CID 172552727) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-benzyl-4-(4-benzyl-5-oxo-1,2,4-triazol-1-yl)piperidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(4-benzyl-5-oxo-1,2,4-triazol-1-yl)piperidin-2-one
PubChem CID172552727
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-benzyl-4-(4-benzyl-5-oxo-1,2,4-triazol-1-yl)piperidin-2-one
SMILESO=C1CC(n2ncn(Cc3ccccc3)c2=O)CCN1Cc1ccccc1
InChIInChI=1S/C21H22N4O2/c26-20-13-19(11-12-23(20)14-17-7-3-1-4-8-17)25-21(27)24(16-22-25)15-18-9-5-2-6-10-18/h1-10,16,19H,11-15H2
InChIKeyCQEJNPLAYZUZHT-UHFFFAOYSA-N
XLogP2.46
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-dibenzylpiperidin-2-one
CID 57246894
(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one
CID 171430314
1-benzyl-4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidin-2-one
CID 58395330
1-[(4-phenoxyphenyl)methyl]-4-sulfanylpiperidin-2-one
CID 22292869
1-benzyl-4-(4-ethylphenyl)piperidin-2-one
CID 139936117
1-benzyl-4-(prop-2-enylamino)piperidin-2-one
CID 67325743
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
(4aS,8aS)-2-benzyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-3-one
CID 10490446
2-[(4S)-2-oxo-1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]ethanethioic S-acid
CID 87950783
4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one
CID 117013986
1,7,10,16-tetrabenzyl-4,13-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,6,11,15-tetrone
CID 10676220

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-benzyl-5-oxo-1,2,4-triazol-1-yl)piperidin-2-one?
The IUPAC name of 1-benzyl-4-(4-benzyl-5-oxo-1,2,4-triazol-1-yl)piperidin-2-one (CID 172552727) is 1-benzyl-4-(4-benzyl-5-oxo-1,2,4-triazol-1-yl)piperidin-2-one.
What is the SMILES notation for 1-benzyl-4-(4-benzyl-5-oxo-1,2,4-triazol-1-yl)piperidin-2-one?
The canonical SMILES for 1-benzyl-4-(4-benzyl-5-oxo-1,2,4-triazol-1-yl)piperidin-2-one is O=C1CC(n2ncn(Cc3ccccc3)c2=O)CCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-(4-benzyl-5-oxo-1,2,4-triazol-1-yl)piperidin-2-one?
The InChIKey is CQEJNPLAYZUZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-20-13-19(11-12-23(20)14-17-7-3-1-4-8-17)25-21(27)24(16-22-25)15-18-9-5-2-6-10-18/h1-10,16,19H,11-15H2.
What are the key properties of 1-benzyl-4-(4-benzyl-5-oxo-1,2,4-triazol-1-yl)piperidin-2-one?
1-benzyl-4-(4-benzyl-5-oxo-1,2,4-triazol-1-yl)piperidin-2-one has a molecular weight of 362.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-benzyl-5-oxo-1,2,4-triazol-1-yl)piperidin-2-one is sourced from PubChem (CID 172552727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).