N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(4-hydroxypiperidin-1-yl)benzamide

C16H21N5O2 — CID 110000274

IUPACN-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESCCc1nc(NC(=O)c2ccc(N3CCC(O)CC3)cc2)n[nH]1
InChIInChI=1S/C16H21N5O2/c1-2-14-17-16(20-19-14)18-15(23)11-3-5-12(6-4-11)21-9-7-13(22)8-10-21/h3-6,13,22H,2,7-10H2,1H3,(H2,17,18,19,20,23)
InChIKeyHCVIDJQSMRXXJJ-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.58
Rot. Bonds4

About N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(4-hydroxypiperidin-1-yl)benzamide

N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(4-hydroxypiperidin-1-yl)benzamide (PubChem CID 110000274) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(4-hydroxypiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(4-hydroxypiperidin-1-yl)benzamide
PubChem CID110000274
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESCCc1nc(NC(=O)c2ccc(N3CCC(O)CC3)cc2)n[nH]1
InChIInChI=1S/C16H21N5O2/c1-2-14-17-16(20-19-14)18-15(23)11-3-5-12(6-4-11)21-9-7-13(22)8-10-21/h3-6,13,22H,2,7-10H2,1H3,(H2,17,18,19,20,23)
InChIKeyHCVIDJQSMRXXJJ-UHFFFAOYSA-N
XLogP1.58
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(4-hydroxypiperidin-1-yl)benzamide?
The IUPAC name of N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(4-hydroxypiperidin-1-yl)benzamide (CID 110000274) is N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(4-hydroxypiperidin-1-yl)benzamide.
What is the SMILES notation for N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(4-hydroxypiperidin-1-yl)benzamide?
The canonical SMILES for N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(4-hydroxypiperidin-1-yl)benzamide is CCc1nc(NC(=O)c2ccc(N3CCC(O)CC3)cc2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(4-hydroxypiperidin-1-yl)benzamide?
The InChIKey is HCVIDJQSMRXXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-2-14-17-16(20-19-14)18-15(23)11-3-5-12(6-4-11)21-9-7-13(22)8-10-21/h3-6,13,22H,2,7-10H2,1H3,(H2,17,18,19,20,23).
What are the key properties of N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(4-hydroxypiperidin-1-yl)benzamide?
N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(4-hydroxypiperidin-1-yl)benzamide has a molecular weight of 315.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(4-hydroxypiperidin-1-yl)benzamide is sourced from PubChem (CID 110000274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).