2-[4-(aminomethyl)piperidin-1-yl]-N-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)acetamide

C21H27N5O2 — CID 5329639

IUPAC2-[4-(aminomethyl)piperidin-1-yl]-N-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)acetamide
SMILESCC(C)c1[nH]nc2c1C(=O)c1c(NC(=O)CN3CCC(CN)CC3)cccc1-2
InChIInChI=1S/C21H27N5O2/c1-12(2)19-18-20(25-24-19)14-4-3-5-15(17(14)21(18)28)23-16(27)11-26-8-6-13(10-22)7-9-26/h3-5,12-13H,6-11,22H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyRABZCZVASTTWML-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.35
Rot. Bonds5

About 2-[4-(aminomethyl)piperidin-1-yl]-N-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)acetamide

2-[4-(aminomethyl)piperidin-1-yl]-N-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)acetamide (PubChem CID 5329639) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-N-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-1-yl]-N-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)acetamide
PubChem CID5329639
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-[4-(aminomethyl)piperidin-1-yl]-N-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)acetamide
SMILESCC(C)c1[nH]nc2c1C(=O)c1c(NC(=O)CN3CCC(CN)CC3)cccc1-2
InChIInChI=1S/C21H27N5O2/c1-12(2)19-18-20(25-24-19)14-4-3-5-15(17(14)21(18)28)23-16(27)11-26-8-6-13(10-22)7-9-26/h3-5,12-13H,6-11,22H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyRABZCZVASTTWML-UHFFFAOYSA-N
XLogP2.35
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-(aminomethyl)piperidin-1-yl]-N-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-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-(aminomethyl)piperidin-1-yl]-N-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)acetamide (CID 5329639) is 2-[4-(aminomethyl)piperidin-1-yl]-N-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-N-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-N-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)acetamide is CC(C)c1[nH]nc2c1C(=O)c1c(NC(=O)CN3CCC(CN)CC3)cccc1-2.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-N-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)acetamide?
The InChIKey is RABZCZVASTTWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-12(2)19-18-20(25-24-19)14-4-3-5-15(17(14)21(18)28)23-16(27)11-26-8-6-13(10-22)7-9-26/h3-5,12-13H,6-11,22H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-N-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)acetamide?
2-[4-(aminomethyl)piperidin-1-yl]-N-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)piperidin-1-yl]-N-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)acetamide is sourced from PubChem (CID 5329639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).