1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one

C19H24N4O — CID 53192443

IUPAC1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(c2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C19H24N4O/c24-17(9-6-14-4-2-1-3-5-14)23-12-10-16(11-13-23)19-20-18(21-22-19)15-7-8-15/h1-5,15-16H,6-13H2,(H,20,21,22)
InChIKeyZLOSNAOMDDVWER-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.02
Rot. Bonds5

About 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one

1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 53192443) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID53192443
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(c2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C19H24N4O/c24-17(9-6-14-4-2-1-3-5-14)23-12-10-16(11-13-23)19-20-18(21-22-19)15-7-8-15/h1-5,15-16H,6-13H2,(H,20,21,22)
InChIKeyZLOSNAOMDDVWER-UHFFFAOYSA-N
XLogP3.02
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one (CID 53192443) is 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCC(c2nc(C3CC3)n[nH]2)CC1.
What is the InChIKey of 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is ZLOSNAOMDDVWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-17(9-6-14-4-2-1-3-5-14)23-12-10-16(11-13-23)19-20-18(21-22-19)15-7-8-15/h1-5,15-16H,6-13H2,(H,20,21,22).
What are the key properties of 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one?
1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 324.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 53192443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).