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

C17H29N5O2 — CID 90542933

IUPACN-tert-butyl-2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
SMILESCn1nc(C2CCN(CC(=O)NC(C)(C)C)CC2)n(C2CC2)c1=O
InChIInChI=1S/C17H29N5O2/c1-17(2,3)18-14(23)11-21-9-7-12(8-10-21)15-19-20(4)16(24)22(15)13-5-6-13/h12-13H,5-11H2,1-4H3,(H,18,23)
InChIKeyIITFHKPZVQFROG-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.01
Rot. Bonds4

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

N-tert-butyl-2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (PubChem CID 90542933) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
PubChem CID90542933
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-tert-butyl-2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
SMILESCn1nc(C2CCN(CC(=O)NC(C)(C)C)CC2)n(C2CC2)c1=O
InChIInChI=1S/C17H29N5O2/c1-17(2,3)18-14(23)11-21-9-7-12(8-10-21)15-19-20(4)16(24)22(15)13-5-6-13/h12-13H,5-11H2,1-4H3,(H,18,23)
InChIKeyIITFHKPZVQFROG-UHFFFAOYSA-N
XLogP1.01
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (CID 90542933) is N-tert-butyl-2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is Cn1nc(C2CCN(CC(=O)NC(C)(C)C)CC2)n(C2CC2)c1=O.
What is the InChIKey of N-tert-butyl-2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The InChIKey is IITFHKPZVQFROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-17(2,3)18-14(23)11-21-9-7-12(8-10-21)15-19-20(4)16(24)22(15)13-5-6-13/h12-13H,5-11H2,1-4H3,(H,18,23).
What are the key properties of N-tert-butyl-2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
N-tert-butyl-2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide has a molecular weight of 335.45 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 90542933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).