(2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone

C20H26N4O — CID 97193821

IUPAC(2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
SMILESCc1cccc([C@H](C(=O)N2CCN(c3ccncc3)CC2)N(C)C)c1
InChIInChI=1S/C20H26N4O/c1-16-5-4-6-17(15-16)19(22(2)3)20(25)24-13-11-23(12-14-24)18-7-9-21-10-8-18/h4-10,15,19H,11-14H2,1-3H3/t19-/m1/s1
InChIKeyGROQYDPDICKKSB-LJQANCHMSA-N
MW338.46 g/mol
LogP2.34
Rot. Bonds4

About (2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone

(2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone (PubChem CID 97193821) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
PubChem CID97193821
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name(2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
SMILESCc1cccc([C@H](C(=O)N2CCN(c3ccncc3)CC2)N(C)C)c1
InChIInChI=1S/C20H26N4O/c1-16-5-4-6-17(15-16)19(22(2)3)20(25)24-13-11-23(12-14-24)18-7-9-21-10-8-18/h4-10,15,19H,11-14H2,1-3H3/t19-/m1/s1
InChIKeyGROQYDPDICKKSB-LJQANCHMSA-N
XLogP2.34
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone?
The IUPAC name of (2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone (CID 97193821) is (2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for (2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone?
The canonical SMILES for (2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone is Cc1cccc([C@H](C(=O)N2CCN(c3ccncc3)CC2)N(C)C)c1.
What is the InChIKey of (2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone?
The InChIKey is GROQYDPDICKKSB-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16-5-4-6-17(15-16)19(22(2)3)20(25)24-13-11-23(12-14-24)18-7-9-21-10-8-18/h4-10,15,19H,11-14H2,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone?
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone has a molecular weight of 338.46 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 97193821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).