N-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide

C13H21N5O3 — CID 112531894

IUPACN-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)N2CCCCC2CO)nn1
InChIInChI=1S/C13H21N5O3/c1-2-12(20)14-11-7-17(16-15-11)8-13(21)18-6-4-3-5-10(18)9-19/h7,10,19H,2-6,8-9H2,1H3,(H,14,20)
InChIKeyJCGLPLACHAKMNC-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.00
Rot. Bonds5

About N-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide

N-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide (PubChem CID 112531894) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide
PubChem CID112531894
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC NameN-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)N2CCCCC2CO)nn1
InChIInChI=1S/C13H21N5O3/c1-2-12(20)14-11-7-17(16-15-11)8-13(21)18-6-4-3-5-10(18)9-19/h7,10,19H,2-6,8-9H2,1H3,(H,14,20)
InChIKeyJCGLPLACHAKMNC-UHFFFAOYSA-N
XLogP-0.00
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide
CID 112530434
N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112530725
N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112531417
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 43421717
N-[1-[2-[3-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112532028
N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
CID 112520034
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 61410629
ethyl 2-[4-[(2-cyclohexylacetyl)amino]triazol-1-yl]acetate
CID 112535530
methyl N-[2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]carbamate
CID 112531885
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone
CID 115348314
N-[1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112531833
N-[1-[2-(azepan-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112530504

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide?
The IUPAC name of N-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide (CID 112531894) is N-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide.
What is the SMILES notation for N-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide?
The canonical SMILES for N-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide is CCC(=O)Nc1cn(CC(=O)N2CCCCC2CO)nn1.
What is the InChIKey of N-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide?
The InChIKey is JCGLPLACHAKMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-2-12(20)14-11-7-17(16-15-11)8-13(21)18-6-4-3-5-10(18)9-19/h7,10,19H,2-6,8-9H2,1H3,(H,14,20).
What are the key properties of N-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide?
N-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide has a molecular weight of 295.34 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide is sourced from PubChem (CID 112531894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).