2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide

C15H25N5O — CID 71922454

IUPAC2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCCC(c2nncn2C2CC2)C1
InChIInChI=1S/C15H25N5O/c1-2-7-16-14(21)10-19-8-3-4-12(9-19)15-18-17-11-20(15)13-5-6-13/h11-13H,2-10H2,1H3,(H,16,21)
InChIKeyHQJXZFNLQZPPMO-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.32
Rot. Bonds6

About 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide

2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide (PubChem CID 71922454) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide
PubChem CID71922454
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCCC(c2nncn2C2CC2)C1
InChIInChI=1S/C15H25N5O/c1-2-7-16-14(21)10-19-8-3-4-12(9-19)15-18-17-11-20(15)13-5-6-13/h11-13H,2-10H2,1H3,(H,16,21)
InChIKeyHQJXZFNLQZPPMO-UHFFFAOYSA-N
XLogP1.32
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide (CID 71922454) is 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCCC(c2nncn2C2CC2)C1.
What is the InChIKey of 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide?
The InChIKey is HQJXZFNLQZPPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-2-7-16-14(21)10-19-8-3-4-12(9-19)15-18-17-11-20(15)13-5-6-13/h11-13H,2-10H2,1H3,(H,16,21).
What are the key properties of 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide?
2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide has a molecular weight of 291.40 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 71922454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).