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

C19H33N5O2 — CID 90542934

IUPAC2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CCC(c2nn(C)c(=O)n2C2CC2)CC1)C(C)C
InChIInChI=1S/C19H33N5O2/c1-13(2)23(14(3)4)17(25)12-22-10-8-15(9-11-22)18-20-21(5)19(26)24(18)16-6-7-16/h13-16H,6-12H2,1-5H3
InChIKeyFYHTZXVKVTXZJP-UHFFFAOYSA-N
MW363.51 g/mol
LogP1.74
Rot. Bonds6

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

2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 90542934) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID90542934
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CCC(c2nn(C)c(=O)n2C2CC2)CC1)C(C)C
InChIInChI=1S/C19H33N5O2/c1-13(2)23(14(3)4)17(25)12-22-10-8-15(9-11-22)18-20-21(5)19(26)24(18)16-6-7-16/h13-16H,6-12H2,1-5H3
InChIKeyFYHTZXVKVTXZJP-UHFFFAOYSA-N
XLogP1.74
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide (CID 90542934) is 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)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,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CN1CCC(c2nn(C)c(=O)n2C2CC2)CC1)C(C)C.
What is the InChIKey of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is FYHTZXVKVTXZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-13(2)23(14(3)4)17(25)12-22-10-8-15(9-11-22)18-20-21(5)19(26)24(18)16-6-7-16/h13-16H,6-12H2,1-5H3.
What are the key properties of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide?
2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 363.51 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 90542934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).