2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-propylpiperidine-1-carboxamide

C14H23N5O — CID 91903861

IUPAC2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCCCC1c1nc(C2CC2)n[nH]1
InChIInChI=1S/C14H23N5O/c1-2-8-15-14(20)19-9-4-3-5-11(19)13-16-12(17-18-13)10-6-7-10/h10-11H,2-9H2,1H3,(H,15,20)(H,16,17,18)
InChIKeySKRXICHRIUXAPY-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.33
Rot. Bonds4

About 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-propylpiperidine-1-carboxamide

2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-propylpiperidine-1-carboxamide (PubChem CID 91903861) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-propylpiperidine-1-carboxamide
PubChem CID91903861
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCCCC1c1nc(C2CC2)n[nH]1
InChIInChI=1S/C14H23N5O/c1-2-8-15-14(20)19-9-4-3-5-11(19)13-16-12(17-18-13)10-6-7-10/h10-11H,2-9H2,1H3,(H,15,20)(H,16,17,18)
InChIKeySKRXICHRIUXAPY-UHFFFAOYSA-N
XLogP2.33
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-propylpiperidine-1-carboxamide 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 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-propylpiperidine-1-carboxamide?
The IUPAC name of 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-propylpiperidine-1-carboxamide (CID 91903861) is 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCCCC1c1nc(C2CC2)n[nH]1.
What is the InChIKey of 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-propylpiperidine-1-carboxamide?
The InChIKey is SKRXICHRIUXAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-2-8-15-14(20)19-9-4-3-5-11(19)13-16-12(17-18-13)10-6-7-10/h10-11H,2-9H2,1H3,(H,15,20)(H,16,17,18).
What are the key properties of 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-propylpiperidine-1-carboxamide?
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-propylpiperidine-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 91903861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).