2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C18H29N5O3 — CID 90542975

IUPAC2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCn1nc(C2CCN(CC(=O)NCC3CCCO3)CC2)n(C2CC2)c1=O
InChIInChI=1S/C18H29N5O3/c1-21-18(25)23(14-4-5-14)17(20-21)13-6-8-22(9-7-13)12-16(24)19-11-15-3-2-10-26-15/h13-15H,2-12H2,1H3,(H,19,24)
InChIKeyPSINYYNLXUOLLE-UHFFFAOYSA-N
MW363.46 g/mol
LogP0.39
Rot. Bonds6

About 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 90542975) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID90542975
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCn1nc(C2CCN(CC(=O)NCC3CCCO3)CC2)n(C2CC2)c1=O
InChIInChI=1S/C18H29N5O3/c1-21-18(25)23(14-4-5-14)17(20-21)13-6-8-22(9-7-13)12-16(24)19-11-15-3-2-10-26-15/h13-15H,2-12H2,1H3,(H,19,24)
InChIKeyPSINYYNLXUOLLE-UHFFFAOYSA-N
XLogP0.39
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 90542975) is 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is Cn1nc(C2CCN(CC(=O)NCC3CCCO3)CC2)n(C2CC2)c1=O.
What is the InChIKey of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is PSINYYNLXUOLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-21-18(25)23(14-4-5-14)17(20-21)13-6-8-22(9-7-13)12-16(24)19-11-15-3-2-10-26-15/h13-15H,2-12H2,1H3,(H,19,24).
What are the key properties of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 363.46 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 90542975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).