N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide

C17H27N5O4 — CID 91761764

IUPACN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)CN2CCCCC2=O)C1
InChIInChI=1S/C17H27N5O4/c1-26-7-6-22-14(11-23)19-20-17(22)12-8-13(9-12)18-15(24)10-21-5-3-2-4-16(21)25/h12-13,23H,2-11H2,1H3,(H,18,24)
InChIKeyQZQQTQNWGNOLSP-UHFFFAOYSA-N
MW365.43 g/mol
LogP-0.21
Rot. Bonds8

About N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide

N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 91761764) has the molecular formula C17H27N5O4 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID91761764
Molecular FormulaC17H27N5O4
Molecular Weight365.43 g/mol
Exact Mass365.21
IUPAC NameN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)CN2CCCCC2=O)C1
InChIInChI=1S/C17H27N5O4/c1-26-7-6-22-14(11-23)19-20-17(22)12-8-13(9-12)18-15(24)10-21-5-3-2-4-16(21)25/h12-13,23H,2-11H2,1H3,(H,18,24)
InChIKeyQZQQTQNWGNOLSP-UHFFFAOYSA-N
XLogP-0.21
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide (CID 91761764) is N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide is COCCn1c(CO)nnc1C1CC(NC(=O)CN2CCCCC2=O)C1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is QZQQTQNWGNOLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O4/c1-26-7-6-22-14(11-23)19-20-17(22)12-8-13(9-12)18-15(24)10-21-5-3-2-4-16(21)25/h12-13,23H,2-11H2,1H3,(H,18,24).
What are the key properties of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide?
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 365.43 g/mol, XLogP of -0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 91761764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).