N-ethyl-3-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-N-methylpropanamide

C13H23N5O2 — CID 128980427

IUPACN-ethyl-3-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-N-methylpropanamide
SMILESCCN(C)C(=O)CCN1CCCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C13H23N5O2/c1-3-17(2)12(19)5-8-18-7-4-6-13(20,10-18)11-9-14-16-15-11/h9,20H,3-8,10H2,1-2H3,(H,14,15,16)
InChIKeyDKFGKOQLQZMQRV-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.04
Rot. Bonds5

About N-ethyl-3-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-N-methylpropanamide

N-ethyl-3-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-N-methylpropanamide (PubChem CID 128980427) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-ethyl-3-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-N-methylpropanamide
PubChem CID128980427
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC NameN-ethyl-3-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-N-methylpropanamide
SMILESCCN(C)C(=O)CCN1CCCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C13H23N5O2/c1-3-17(2)12(19)5-8-18-7-4-6-13(20,10-18)11-9-14-16-15-11/h9,20H,3-8,10H2,1-2H3,(H,14,15,16)
InChIKeyDKFGKOQLQZMQRV-UHFFFAOYSA-N
XLogP-0.04
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-N-methylpropanamide?
The IUPAC name of N-ethyl-3-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-N-methylpropanamide (CID 128980427) is N-ethyl-3-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-ethyl-3-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-ethyl-3-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-N-methylpropanamide is CCN(C)C(=O)CCN1CCCC(O)(c2cn[nH]n2)C1.
What is the InChIKey of N-ethyl-3-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-N-methylpropanamide?
The InChIKey is DKFGKOQLQZMQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-17(2)12(19)5-8-18-7-4-6-13(20,10-18)11-9-14-16-15-11/h9,20H,3-8,10H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-3-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-N-methylpropanamide?
N-ethyl-3-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-N-methylpropanamide has a molecular weight of 281.36 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 128980427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).