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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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).