4-benzyl-5-piperidin-4-yl-2-propyl-1,2,4-triazol-3-one

C17H24N4O — CID 56875815

IUPAC4-benzyl-5-piperidin-4-yl-2-propyl-1,2,4-triazol-3-one
SMILESCCCn1nc(C2CCNCC2)n(Cc2ccccc2)c1=O
InChIInChI=1S/C17H24N4O/c1-2-12-21-17(22)20(13-14-6-4-3-5-7-14)16(19-21)15-8-10-18-11-9-15/h3-7,15,18H,2,8-13H2,1H3
InChIKeyRFMKMFGXNSCTEL-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.97
Rot. Bonds5

About 4-benzyl-5-piperidin-4-yl-2-propyl-1,2,4-triazol-3-one

4-benzyl-5-piperidin-4-yl-2-propyl-1,2,4-triazol-3-one (PubChem CID 56875815) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-benzyl-5-piperidin-4-yl-2-propyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-benzyl-5-piperidin-4-yl-2-propyl-1,2,4-triazol-3-one
PubChem CID56875815
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-benzyl-5-piperidin-4-yl-2-propyl-1,2,4-triazol-3-one
SMILESCCCn1nc(C2CCNCC2)n(Cc2ccccc2)c1=O
InChIInChI=1S/C17H24N4O/c1-2-12-21-17(22)20(13-14-6-4-3-5-7-14)16(19-21)15-8-10-18-11-9-15/h3-7,15,18H,2,8-13H2,1H3
InChIKeyRFMKMFGXNSCTEL-UHFFFAOYSA-N
XLogP1.97
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Ethyl-2,4-dihydro-2-methyl-5-phenyl-3H-1,2,4-triazol-3-one
CID 120470
4-benzyl-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 68355346
2-Butyl-4-(methylamino)-5-phenyl-1,2,4-triazol-3-one
CID 472819
2-Isobutyl-4-methylamino-5-phenyl-2,4-dihydro-[1,2,4]triazol-3-one
CID 477641
2-Benzyl-4-(methylamino)-5-phenyl-1,2,4-triazol-3-one
CID 477642
4-(Methylamino)-5-phenyl-2-propyl-1,2,4-triazol-3-one
CID 477686
4-benzyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride
CID 24950022
3-(aminomethyl)-4-benzyl-1H-1,2,4-triazol-5-one
CID 24950367
1-(4-fluorobenzyl)-4-methyl-3-(1-(methylsulfonyl)piperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one
CID 30864422
1-N,4-N-dibenzyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
CID 44271758
1-Benzyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 47075726
4-[(1R)-1-(4-fluorophenyl)ethyl]-5-(1-methylpiperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50964217

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-piperidin-4-yl-2-propyl-1,2,4-triazol-3-one?
The IUPAC name of 4-benzyl-5-piperidin-4-yl-2-propyl-1,2,4-triazol-3-one (CID 56875815) is 4-benzyl-5-piperidin-4-yl-2-propyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-benzyl-5-piperidin-4-yl-2-propyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-benzyl-5-piperidin-4-yl-2-propyl-1,2,4-triazol-3-one is CCCn1nc(C2CCNCC2)n(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzyl-5-piperidin-4-yl-2-propyl-1,2,4-triazol-3-one?
The InChIKey is RFMKMFGXNSCTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-12-21-17(22)20(13-14-6-4-3-5-7-14)16(19-21)15-8-10-18-11-9-15/h3-7,15,18H,2,8-13H2,1H3.
What are the key properties of 4-benzyl-5-piperidin-4-yl-2-propyl-1,2,4-triazol-3-one?
4-benzyl-5-piperidin-4-yl-2-propyl-1,2,4-triazol-3-one has a molecular weight of 300.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-piperidin-4-yl-2-propyl-1,2,4-triazol-3-one is sourced from PubChem (CID 56875815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).