2-[4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]piperidin-1-yl]-N-methylacetamide

C13H24N6O2 — CID 66269796

IUPAC2-[4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCc2cn(CCO)nn2)CC1
InChIInChI=1S/C13H24N6O2/c1-14-13(21)10-18-4-2-11(3-5-18)15-8-12-9-19(6-7-20)17-16-12/h9,11,15,20H,2-8,10H2,1H3,(H,14,21)
InChIKeyWKHHLWLGOKQPHM-UHFFFAOYSA-N
MW296.38 g/mol
LogP-1.43
Rot. Bonds7

About 2-[4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]piperidin-1-yl]-N-methylacetamide

2-[4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]piperidin-1-yl]-N-methylacetamide (PubChem CID 66269796) has the molecular formula C13H24N6O2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]piperidin-1-yl]-N-methylacetamide
PubChem CID66269796
Molecular FormulaC13H24N6O2
Molecular Weight296.38 g/mol
Exact Mass296.20
IUPAC Name2-[4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCc2cn(CCO)nn2)CC1
InChIInChI=1S/C13H24N6O2/c1-14-13(21)10-18-4-2-11(3-5-18)15-8-12-9-19(6-7-20)17-16-12/h9,11,15,20H,2-8,10H2,1H3,(H,14,21)
InChIKeyWKHHLWLGOKQPHM-UHFFFAOYSA-N
XLogP-1.43
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol
CID 66269974
2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol
CID 66268121
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpyrrolidin-2-one
CID 106253571
2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide
CID 66193582
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
2-[4-[[(3-ethoxycyclobutyl)amino]methyl]triazol-1-yl]ethanol
CID 114118855
3-[4-[[(1,1-dioxothian-4-yl)amino]methyl]triazol-1-yl]propan-1-ol
CID 66268350
N-[[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62421520
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide
CID 66192832
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111
2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide
CID 63001894

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]piperidin-1-yl]-N-methylacetamide (CID 66269796) is 2-[4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NCc2cn(CCO)nn2)CC1.
What is the InChIKey of 2-[4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is WKHHLWLGOKQPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-14-13(21)10-18-4-2-11(3-5-18)15-8-12-9-19(6-7-20)17-16-12/h9,11,15,20H,2-8,10H2,1H3,(H,14,21).
What are the key properties of 2-[4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]piperidin-1-yl]-N-methylacetamide?
2-[4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 296.38 g/mol, XLogP of -1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 66269796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).