2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide

C19H29N3O3 — CID 78803715

IUPAC2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(OC(C)C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C19H29N3O3/c1-14(2)20-18(23)13-21-9-11-22(12-10-21)19(24)16(4)25-17-7-5-15(3)6-8-17/h5-8,14,16H,9-13H2,1-4H3,(H,20,23)
InChIKeyFZKGKYWJQZNTGV-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.43
Rot. Bonds6

About 2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 78803715) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID78803715
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(OC(C)C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C19H29N3O3/c1-14(2)20-18(23)13-21-9-11-22(12-10-21)19(24)16(4)25-17-7-5-15(3)6-8-17/h5-8,14,16H,9-13H2,1-4H3,(H,20,23)
InChIKeyFZKGKYWJQZNTGV-UHFFFAOYSA-N
XLogP1.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
2-[4-[2-(3-methylphenoxy)propanoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 18115506
2-[4-[2-(4-tert-butylphenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide
CID 78801387
N-(2,6-dimethylphenyl)-2-[4-[2-(4-phenylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 46407772
1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 17200498
2-[4-[(2S)-2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide
CID 94868085
N-(2,3-dimethylphenyl)-2-[4-(2-phenoxypropanoyl)piperazin-1-yl]acetamide
CID 18116033
2-[4-[2-(3-methylphenoxy)propanoyl]piperazin-1-yl]acetic acid
CID 119136172
1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methoxyphenoxy)propan-1-one
CID 55505681
2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 3876890
2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55364439
1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 18112386

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 78803715) is 2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide is Cc1ccc(OC(C)C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1.
What is the InChIKey of 2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is FZKGKYWJQZNTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(2)20-18(23)13-21-9-11-22(12-10-21)19(24)16(4)25-17-7-5-15(3)6-8-17/h5-8,14,16H,9-13H2,1-4H3,(H,20,23).
What are the key properties of 2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 347.46 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 78803715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).