[2-(dimethylamino)-1,3-dihydroinden-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone

C22H27N3O — CID 95730223

IUPAC[2-(dimethylamino)-1,3-dihydroinden-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone
SMILESCN(C)C1(C(=O)N2CCN[C@H](c3ccccc3)C2)Cc2ccccc2C1
InChIInChI=1S/C22H27N3O/c1-24(2)22(14-18-10-6-7-11-19(18)15-22)21(26)25-13-12-23-20(16-25)17-8-4-3-5-9-17/h3-11,20,23H,12-16H2,1-2H3/t20-/m0/s1
InChIKeyCKIRXGXURKIUFF-FQEVSTJZSA-N
MW349.48 g/mol
LogP2.26
Rot. Bonds3

About [2-(dimethylamino)-1,3-dihydroinden-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone

[2-(dimethylamino)-1,3-dihydroinden-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone (PubChem CID 95730223) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is [2-(dimethylamino)-1,3-dihydroinden-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-1,3-dihydroinden-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone
PubChem CID95730223
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name[2-(dimethylamino)-1,3-dihydroinden-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone
SMILESCN(C)C1(C(=O)N2CCN[C@H](c3ccccc3)C2)Cc2ccccc2C1
InChIInChI=1S/C22H27N3O/c1-24(2)22(14-18-10-6-7-11-19(18)15-22)21(26)25-13-12-23-20(16-25)17-8-4-3-5-9-17/h3-11,20,23H,12-16H2,1-2H3/t20-/m0/s1
InChIKeyCKIRXGXURKIUFF-FQEVSTJZSA-N
XLogP2.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-1,3-dihydroinden-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone?
The IUPAC name of [2-(dimethylamino)-1,3-dihydroinden-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone (CID 95730223) is [2-(dimethylamino)-1,3-dihydroinden-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)-1,3-dihydroinden-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone?
The canonical SMILES for [2-(dimethylamino)-1,3-dihydroinden-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone is CN(C)C1(C(=O)N2CCN[C@H](c3ccccc3)C2)Cc2ccccc2C1.
What is the InChIKey of [2-(dimethylamino)-1,3-dihydroinden-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone?
The InChIKey is CKIRXGXURKIUFF-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27N3O/c1-24(2)22(14-18-10-6-7-11-19(18)15-22)21(26)25-13-12-23-20(16-25)17-8-4-3-5-9-17/h3-11,20,23H,12-16H2,1-2H3/t20-/m0/s1.
What are the key properties of [2-(dimethylamino)-1,3-dihydroinden-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone?
[2-(dimethylamino)-1,3-dihydroinden-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone has a molecular weight of 349.48 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-1,3-dihydroinden-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone is sourced from PubChem (CID 95730223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).