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

C24H31N5O2 — CID 5288017

IUPAC2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide
SMILESNCC1CCN(CC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2C2CCCCC2)CC1
InChIInChI=1S/C24H31N5O2/c25-13-15-9-11-29(12-10-15)14-19(30)26-18-8-4-7-17-20(18)24(31)21-22(27-28-23(17)21)16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14,25H2,(H,26,30)(H,27,28)
InChIKeyAITZHKQVQNLKHI-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.28
Rot. Bonds5

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

2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide (PubChem CID 5288017) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide
PubChem CID5288017
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide
SMILESNCC1CCN(CC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2C2CCCCC2)CC1
InChIInChI=1S/C24H31N5O2/c25-13-15-9-11-29(12-10-15)14-19(30)26-18-8-4-7-17-20(18)24(31)21-22(27-28-23(17)21)16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14,25H2,(H,26,30)(H,27,28)
InChIKeyAITZHKQVQNLKHI-UHFFFAOYSA-N
XLogP3.28
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Indenopyrazole 5a
CID 5329604
Indenopyrazole 5c
CID 5329606
Indenopyrazole 5d
CID 5329607
Indenopyrazole 5j
CID 5329613
Indenopyrazole 5k
CID 5329614
Indenopyrazole 5l
CID 5329615
Indenopyrazole 8a
CID 5329617
Indenopyrazole 8b
CID 5329618
Indenopyrazole 8c
CID 5329619
Indenopyrazole 8d
CID 5329620
Indenopyrazole 8e
CID 5329621
Indenopyrazole 8f
CID 5329622

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide (CID 5288017) is 2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide is NCC1CCN(CC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2C2CCCCC2)CC1.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide?
The InChIKey is AITZHKQVQNLKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c25-13-15-9-11-29(12-10-15)14-19(30)26-18-8-4-7-17-20(18)24(31)21-22(27-28-23(17)21)16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14,25H2,(H,26,30)(H,27,28).
What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide?
2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide has a molecular weight of 421.55 g/mol, XLogP of 3.28, 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-(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide is sourced from PubChem (CID 5288017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).