1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide

C22H33N3O — CID 45252707

IUPAC1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1
InChIInChI=1S/C22H33N3O/c1-23(2)22(26)19-8-5-11-25(16-19)20-9-12-24(13-10-20)21-14-17-6-3-4-7-18(17)15-21/h3-4,6-7,19-21H,5,8-16H2,1-2H3
InChIKeyPVTFTVVCANYDRF-UHFFFAOYSA-N
MW355.53 g/mol
LogP2.42
Rot. Bonds3

About 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide

1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 45252707) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID45252707
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1
InChIInChI=1S/C22H33N3O/c1-23(2)22(26)19-8-5-11-25(16-19)20-9-12-24(13-10-20)21-14-17-6-3-4-7-18(17)15-21/h3-4,6-7,19-21H,5,8-16H2,1-2H3
InChIKeyPVTFTVVCANYDRF-UHFFFAOYSA-N
XLogP2.42
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide 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-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide (CID 45252707) is 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide is CN(C)C(=O)C1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is PVTFTVVCANYDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-23(2)22(26)19-8-5-11-25(16-19)20-9-12-24(13-10-20)21-14-17-6-3-4-7-18(17)15-21/h3-4,6-7,19-21H,5,8-16H2,1-2H3.
What are the key properties of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide?
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 355.53 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 45252707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).