3-[(3-ethyltriazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one

C12H21N5O — CID 114222597

IUPAC3-[(3-ethyltriazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCCn1nncc1NCCC(=O)N1CCCCC1
InChIInChI=1S/C12H21N5O/c1-2-17-11(10-14-15-17)13-7-6-12(18)16-8-4-3-5-9-16/h10,13H,2-9H2,1H3
InChIKeyYOWWTTLHHALIHN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.11
Rot. Bonds5

About 3-[(3-ethyltriazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one

3-[(3-ethyltriazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 114222597) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(3-ethyltriazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3-ethyltriazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID114222597
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[(3-ethyltriazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCCn1nncc1NCCC(=O)N1CCCCC1
InChIInChI=1S/C12H21N5O/c1-2-17-11(10-14-15-17)13-7-6-12(18)16-8-4-3-5-9-16/h10,13H,2-9H2,1H3
InChIKeyYOWWTTLHHALIHN-UHFFFAOYSA-N
XLogP1.11
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3-ethyltriazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one 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

1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
CID 109033606
3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 56815508
1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510
3-[(5-bromopyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 115619264
3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one
CID 136519955
1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one
CID 113243711
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 102919122
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
CID 112699008
3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013411
3-[(5-amino-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 102768981
3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013917
3-[(3-bromo-4-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
CID 104777246

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyltriazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[(3-ethyltriazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one (CID 114222597) is 3-[(3-ethyltriazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(3-ethyltriazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(3-ethyltriazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one is CCn1nncc1NCCC(=O)N1CCCCC1.
What is the InChIKey of 3-[(3-ethyltriazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is YOWWTTLHHALIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-17-11(10-14-15-17)13-7-6-12(18)16-8-4-3-5-9-16/h10,13H,2-9H2,1H3.
What are the key properties of 3-[(3-ethyltriazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
3-[(3-ethyltriazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 251.33 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyltriazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 114222597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).