3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide

C13H25N5O — CID 90224674

IUPAC3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCC(C)N1CCC(NC(=O)CCC2=CNNN2)CC1
InChIInChI=1S/C13H25N5O/c1-10(2)18-7-5-11(6-8-18)15-13(19)4-3-12-9-14-17-16-12/h9-11,14,16-17H,3-8H2,1-2H3,(H,15,19)
InChIKeyITRKNHGCPNVCGE-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.21
Rot. Bonds5

About 3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide

3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide (PubChem CID 90224674) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
PubChem CID90224674
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCC(C)N1CCC(NC(=O)CCC2=CNNN2)CC1
InChIInChI=1S/C13H25N5O/c1-10(2)18-7-5-11(6-8-18)15-13(19)4-3-12-9-14-17-16-12/h9-11,14,16-17H,3-8H2,1-2H3,(H,15,19)
InChIKeyITRKNHGCPNVCGE-UHFFFAOYSA-N
XLogP0.21
TPSA68.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide (CID 90224674) is 3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide is CC(C)N1CCC(NC(=O)CCC2=CNNN2)CC1.
What is the InChIKey of 3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The InChIKey is ITRKNHGCPNVCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-10(2)18-7-5-11(6-8-18)15-13(19)4-3-12-9-14-17-16-12/h9-11,14,16-17H,3-8H2,1-2H3,(H,15,19).
What are the key properties of 3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide has a molecular weight of 267.38 g/mol, XLogP of 0.21, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide is sourced from PubChem (CID 90224674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).