N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide

C12H19N5O2 — CID 112530434

IUPACN-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)N2CCCCC2)nn1
InChIInChI=1S/C12H19N5O2/c1-2-11(18)13-10-8-17(15-14-10)9-12(19)16-6-4-3-5-7-16/h8H,2-7,9H2,1H3,(H,13,18)
InChIKeySDBILOGFUUVPDD-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.64
Rot. Bonds4

About N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide

N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide (PubChem CID 112530434) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide
PubChem CID112530434
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)N2CCCCC2)nn1
InChIInChI=1S/C12H19N5O2/c1-2-11(18)13-10-8-17(15-14-10)9-12(19)16-6-4-3-5-7-16/h8H,2-7,9H2,1H3,(H,13,18)
InChIKeySDBILOGFUUVPDD-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-(azepan-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112530504
N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112531417
N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112530725
N-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide
CID 112531894
N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
CID 112520034
N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112532196
2-[4-(1-aminopropyl)triazol-1-yl]-1-(azocan-1-yl)ethanone
CID 106227802
1-[2-(azepan-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059933
ethyl N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112530396
2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112530400
1-(azocan-1-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethanone
CID 66192997
N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112530727

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide?
The IUPAC name of N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide (CID 112530434) is N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide.
What is the SMILES notation for N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide?
The canonical SMILES for N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide is CCC(=O)Nc1cn(CC(=O)N2CCCCC2)nn1.
What is the InChIKey of N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide?
The InChIKey is SDBILOGFUUVPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-2-11(18)13-10-8-17(15-14-10)9-12(19)16-6-4-3-5-7-16/h8H,2-7,9H2,1H3,(H,13,18).
What are the key properties of N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide?
N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide has a molecular weight of 265.32 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide is sourced from PubChem (CID 112530434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).