1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide

C13H23N5O2 — CID 47707644

IUPAC1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESCc1nnc(CN2CCC(C(=O)NCCO)CC2)n1C
InChIInChI=1S/C13H23N5O2/c1-10-15-16-12(17(10)2)9-18-6-3-11(4-7-18)13(20)14-5-8-19/h11,19H,3-9H2,1-2H3,(H,14,20)
InChIKeySBGDELZFCOELFD-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.56
Rot. Bonds5

About 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide

1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide (PubChem CID 47707644) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
PubChem CID47707644
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESCc1nnc(CN2CCC(C(=O)NCCO)CC2)n1C
InChIInChI=1S/C13H23N5O2/c1-10-15-16-12(17(10)2)9-18-6-3-11(4-7-18)13(20)14-5-8-19/h11,19H,3-9H2,1-2H3,(H,14,20)
InChIKeySBGDELZFCOELFD-UHFFFAOYSA-N
XLogP-0.56
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide (CID 47707644) is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide is Cc1nnc(CN2CCC(C(=O)NCCO)CC2)n1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The InChIKey is SBGDELZFCOELFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-10-15-16-12(17(10)2)9-18-6-3-11(4-7-18)13(20)14-5-8-19/h11,19H,3-9H2,1-2H3,(H,14,20).
What are the key properties of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide has a molecular weight of 281.36 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 47707644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).