N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetamide

C20H30N6O2 — CID 175654627

IUPACN-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetamide
SMILESCCn1cc(NC(=O)CC2CCN(C(=O)CCn3ccc(C)n3)CC2)c(C)n1
InChIInChI=1S/C20H30N6O2/c1-4-25-14-18(16(3)23-25)21-19(27)13-17-6-9-24(10-7-17)20(28)8-12-26-11-5-15(2)22-26/h5,11,14,17H,4,6-10,12-13H2,1-3H3,(H,21,27)
InChIKeyCOIIHYDIPWPZTJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.37
Rot. Bonds7

About N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetamide

N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetamide (PubChem CID 175654627) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetamide
PubChem CID175654627
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC NameN-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetamide
SMILESCCn1cc(NC(=O)CC2CCN(C(=O)CCn3ccc(C)n3)CC2)c(C)n1
InChIInChI=1S/C20H30N6O2/c1-4-25-14-18(16(3)23-25)21-19(27)13-17-6-9-24(10-7-17)20(28)8-12-26-11-5-15(2)22-26/h5,11,14,17H,4,6-10,12-13H2,1-3H3,(H,21,27)
InChIKeyCOIIHYDIPWPZTJ-UHFFFAOYSA-N
XLogP2.37
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-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 N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetamide?
The IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetamide (CID 175654627) is N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetamide is CCn1cc(NC(=O)CC2CCN(C(=O)CCn3ccc(C)n3)CC2)c(C)n1.
What is the InChIKey of N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetamide?
The InChIKey is COIIHYDIPWPZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-4-25-14-18(16(3)23-25)21-19(27)13-17-6-9-24(10-7-17)20(28)8-12-26-11-5-15(2)22-26/h5,11,14,17H,4,6-10,12-13H2,1-3H3,(H,21,27).
What are the key properties of N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetamide?
N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetamide has a molecular weight of 386.50 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 175654627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).