2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide

C18H29N3O2 — CID 78815634

IUPAC2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCCOc1ccccc1N1CCN(CC(=O)N(C)C(C)C)CC1
InChIInChI=1S/C18H29N3O2/c1-5-23-17-9-7-6-8-16(17)21-12-10-20(11-13-21)14-18(22)19(4)15(2)3/h6-9,15H,5,10-14H2,1-4H3
InChIKeyPLICDTIJUDXPGT-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.07
Rot. Bonds6

About 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide

2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 78815634) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID78815634
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCCOc1ccccc1N1CCN(CC(=O)N(C)C(C)C)CC1
InChIInChI=1S/C18H29N3O2/c1-5-23-17-9-7-6-8-16(17)21-12-10-20(11-13-21)14-18(22)19(4)15(2)3/h6-9,15H,5,10-14H2,1-4H3
InChIKeyPLICDTIJUDXPGT-UHFFFAOYSA-N
XLogP2.07
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78782303
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-ethyl-N-naphthalen-1-ylacetamide
CID 36846496
N-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide
CID 8687133
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 8703505
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 8691402
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 8691494
(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 95133049
4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
CID 119134368
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
CID 8703661
N-(4-acetylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 8703707
N-[4-(difluoromethoxy)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 3908014
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 135119537

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide (CID 78815634) is 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide is CCOc1ccccc1N1CCN(CC(=O)N(C)C(C)C)CC1.
What is the InChIKey of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is PLICDTIJUDXPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-5-23-17-9-7-6-8-16(17)21-12-10-20(11-13-21)14-18(22)19(4)15(2)3/h6-9,15H,5,10-14H2,1-4H3.
What are the key properties of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 319.45 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 78815634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).