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

C19H25N5O — CID 75433080

IUPAC1-[4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)anilino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)CC1
InChIInChI=1S/C19H25N5O/c1-2-17(25)24-10-8-15(9-11-24)20-16-5-3-4-14(12-16)19-21-18(22-23-19)13-6-7-13/h3-5,12-13,15,20H,2,6-11H2,1H3,(H,21,22,23)
InChIKeyRNSQLIIXLHEDBM-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.16
Rot. Bonds5

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

1-[4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)anilino]piperidin-1-yl]propan-1-one (PubChem CID 75433080) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)anilino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)anilino]piperidin-1-yl]propan-1-one
PubChem CID75433080
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)anilino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)CC1
InChIInChI=1S/C19H25N5O/c1-2-17(25)24-10-8-15(9-11-24)20-16-5-3-4-14(12-16)19-21-18(22-23-19)13-6-7-13/h3-5,12-13,15,20H,2,6-11H2,1H3,(H,21,22,23)
InChIKeyRNSQLIIXLHEDBM-UHFFFAOYSA-N
XLogP3.16
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)anilino]piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)anilino]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)anilino]piperidin-1-yl]propan-1-one (CID 75433080) is 1-[4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)anilino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)anilino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)anilino]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)CC1.
What is the InChIKey of 1-[4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)anilino]piperidin-1-yl]propan-1-one?
The InChIKey is RNSQLIIXLHEDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-17(25)24-10-8-15(9-11-24)20-16-5-3-4-14(12-16)19-21-18(22-23-19)13-6-7-13/h3-5,12-13,15,20H,2,6-11H2,1H3,(H,21,22,23).
What are the key properties of 1-[4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)anilino]piperidin-1-yl]propan-1-one?
1-[4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)anilino]piperidin-1-yl]propan-1-one has a molecular weight of 339.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)anilino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 75433080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).