1-[4-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methylamino]piperidin-1-yl]-2-(dimethylamino)ethanone

C26H31N5O — CID 10274252

IUPAC1-[4-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methylamino]piperidin-1-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCC(NCc2ccc(-c3n[nH]c4c3Cc3ccccc3-4)cc2)CC1
InChIInChI=1S/C26H31N5O/c1-30(2)17-24(32)31-13-11-21(12-14-31)27-16-18-7-9-19(10-8-18)25-23-15-20-5-3-4-6-22(20)26(23)29-28-25/h3-10,21,27H,11-17H2,1-2H3,(H,28,29)
InChIKeyPWWCGWAIQDNGQL-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.29
Rot. Bonds6

About 1-[4-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methylamino]piperidin-1-yl]-2-(dimethylamino)ethanone

1-[4-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methylamino]piperidin-1-yl]-2-(dimethylamino)ethanone (PubChem CID 10274252) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 1-[4-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methylamino]piperidin-1-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-[4-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methylamino]piperidin-1-yl]-2-(dimethylamino)ethanone
PubChem CID10274252
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name1-[4-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methylamino]piperidin-1-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCC(NCc2ccc(-c3n[nH]c4c3Cc3ccccc3-4)cc2)CC1
InChIInChI=1S/C26H31N5O/c1-30(2)17-24(32)31-13-11-21(12-14-31)27-16-18-7-9-19(10-8-18)25-23-15-20-5-3-4-6-22(20)26(23)29-28-25/h3-10,21,27H,11-17H2,1-2H3,(H,28,29)
InChIKeyPWWCGWAIQDNGQL-UHFFFAOYSA-N
XLogP3.29
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methylamino]piperidin-1-yl]-2-(dimethylamino)ethanone 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 1-[4-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methylamino]piperidin-1-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 1-[4-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methylamino]piperidin-1-yl]-2-(dimethylamino)ethanone (CID 10274252) is 1-[4-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methylamino]piperidin-1-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-[4-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methylamino]piperidin-1-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 1-[4-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methylamino]piperidin-1-yl]-2-(dimethylamino)ethanone is CN(C)CC(=O)N1CCC(NCc2ccc(-c3n[nH]c4c3Cc3ccccc3-4)cc2)CC1.
What is the InChIKey of 1-[4-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methylamino]piperidin-1-yl]-2-(dimethylamino)ethanone?
The InChIKey is PWWCGWAIQDNGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-30(2)17-24(32)31-13-11-21(12-14-31)27-16-18-7-9-19(10-8-18)25-23-15-20-5-3-4-6-22(20)26(23)29-28-25/h3-10,21,27H,11-17H2,1-2H3,(H,28,29).
What are the key properties of 1-[4-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methylamino]piperidin-1-yl]-2-(dimethylamino)ethanone?
1-[4-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methylamino]piperidin-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 429.57 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methylamino]piperidin-1-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 10274252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).