2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide

C19H21N3O3 — CID 27671794

IUPAC2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide
SMILESNC(=O)COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N3O3/c20-18(23)14-25-17-8-6-15(7-9-17)19(24)22-12-10-21(11-13-22)16-4-2-1-3-5-16/h1-9H,10-14H2,(H2,20,23)
InChIKeyXPRPQJGIEDNKEQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.51
Rot. Bonds5

About 2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide

2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide (PubChem CID 27671794) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide
PubChem CID27671794
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide
SMILESNC(=O)COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N3O3/c20-18(23)14-25-17-8-6-15(7-9-17)19(24)22-12-10-21(11-13-22)16-4-2-1-3-5-16/h1-9H,10-14H2,(H2,20,23)
InChIKeyXPRPQJGIEDNKEQ-UHFFFAOYSA-N
XLogP1.51
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
2-[4-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 51278709
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
CID 40696784
2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 9089096
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde
CID 2215551
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate
CID 17447126
2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]acetamide
CID 119129466
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(4-tert-butylphenoxy)acetamide
CID 1016330
2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone
CID 113079212
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
2-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide
CID 24503636
(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide?
The IUPAC name of 2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide (CID 27671794) is 2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide?
The canonical SMILES for 2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide is NC(=O)COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide?
The InChIKey is XPRPQJGIEDNKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c20-18(23)14-25-17-8-6-15(7-9-17)19(24)22-12-10-21(11-13-22)16-4-2-1-3-5-16/h1-9H,10-14H2,(H2,20,23).
What are the key properties of 2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide?
2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide has a molecular weight of 339.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide is sourced from PubChem (CID 27671794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).