5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)pentanamide

C13H25N5O — CID 90227129

IUPAC5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)pentanamide
SMILESCN1CCC(NC(=O)CCCCC2=CNNN2)CC1
InChIInChI=1S/C13H25N5O/c1-18-8-6-11(7-9-18)15-13(19)5-3-2-4-12-10-14-17-16-12/h10-11,14,16-17H,2-9H2,1H3,(H,15,19)
InChIKeyTTYJMMZLAYMAMH-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.21
Rot. Bonds6

About 5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)pentanamide

5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)pentanamide (PubChem CID 90227129) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)pentanamide
PubChem CID90227129
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)pentanamide
SMILESCN1CCC(NC(=O)CCCCC2=CNNN2)CC1
InChIInChI=1S/C13H25N5O/c1-18-8-6-11(7-9-18)15-13(19)5-3-2-4-12-10-14-17-16-12/h10-11,14,16-17H,2-9H2,1H3,(H,15,19)
InChIKeyTTYJMMZLAYMAMH-UHFFFAOYSA-N
XLogP0.21
TPSA68.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)pentanamide?
The IUPAC name of 5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)pentanamide (CID 90227129) is 5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)pentanamide.
What is the SMILES notation for 5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)pentanamide?
The canonical SMILES for 5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)pentanamide is CN1CCC(NC(=O)CCCCC2=CNNN2)CC1.
What is the InChIKey of 5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)pentanamide?
The InChIKey is TTYJMMZLAYMAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-18-8-6-11(7-9-18)15-13(19)5-3-2-4-12-10-14-17-16-12/h10-11,14,16-17H,2-9H2,1H3,(H,15,19).
What are the key properties of 5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)pentanamide?
5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)pentanamide has a molecular weight of 267.38 g/mol, XLogP of 0.21, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 90227129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).