N-(1-acetylpiperidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide

C12H19N5O2 — CID 47149858

IUPACN-(1-acetylpiperidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(=O)N1CCC(NC(=O)CCn2cncn2)CC1
InChIInChI=1S/C12H19N5O2/c1-10(18)16-5-2-11(3-6-16)15-12(19)4-7-17-9-13-8-14-17/h8-9,11H,2-7H2,1H3,(H,15,19)
InChIKeyUUILTWKIXKDWJQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.20
Rot. Bonds4

About N-(1-acetylpiperidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide

N-(1-acetylpiperidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 47149858) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID47149858
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-(1-acetylpiperidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(=O)N1CCC(NC(=O)CCn2cncn2)CC1
InChIInChI=1S/C12H19N5O2/c1-10(18)16-5-2-11(3-6-16)15-12(19)4-7-17-9-13-8-14-17/h8-9,11H,2-7H2,1H3,(H,15,19)
InChIKeyUUILTWKIXKDWJQ-UHFFFAOYSA-N
XLogP-0.20
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide (CID 47149858) is N-(1-acetylpiperidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide is CC(=O)N1CCC(NC(=O)CCn2cncn2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is UUILTWKIXKDWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-10(18)16-5-2-11(3-6-16)15-12(19)4-7-17-9-13-8-14-17/h8-9,11H,2-7H2,1H3,(H,15,19).
What are the key properties of N-(1-acetylpiperidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(1-acetylpiperidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 265.32 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 47149858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).