2-[4-[2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide

C20H32N4O2 — CID 72840719

IUPAC2-[4-[2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1cccc(C(C(=O)N2CCN(CC(=O)NC(C)C)CC2)N(C)C)c1
InChIInChI=1S/C20H32N4O2/c1-15(2)21-18(25)14-23-9-11-24(12-10-23)20(26)19(22(4)5)17-8-6-7-16(3)13-17/h6-8,13,15,19H,9-12,14H2,1-5H3,(H,21,25)
InChIKeyOTUFFPYKFWNSSM-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.27
Rot. Bonds6

About 2-[4-[2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 72840719) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID72840719
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name2-[4-[2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1cccc(C(C(=O)N2CCN(CC(=O)NC(C)C)CC2)N(C)C)c1
InChIInChI=1S/C20H32N4O2/c1-15(2)21-18(25)14-23-9-11-24(12-10-23)20(26)19(22(4)5)17-8-6-7-16(3)13-17/h6-8,13,15,19H,9-12,14H2,1-5H3,(H,21,25)
InChIKeyOTUFFPYKFWNSSM-UHFFFAOYSA-N
XLogP1.27
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 72840719) is 2-[4-[2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide is Cc1cccc(C(C(=O)N2CCN(CC(=O)NC(C)C)CC2)N(C)C)c1.
What is the InChIKey of 2-[4-[2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is OTUFFPYKFWNSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-15(2)21-18(25)14-23-9-11-24(12-10-23)20(26)19(22(4)5)17-8-6-7-16(3)13-17/h6-8,13,15,19H,9-12,14H2,1-5H3,(H,21,25).
What are the key properties of 2-[4-[2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 360.50 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 72840719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).