N-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide

C22H25N3O4 — CID 38905055

IUPACN-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide
SMILESCCC(=O)c1ccc(OCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O4/c1-2-20(26)17-8-10-19(11-9-17)29-16-21(27)24-12-14-25(15-13-24)22(28)23-18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H,23,28)
InChIKeyMPZPTMSPBNBWOQ-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.03
Rot. Bonds6

About N-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide

N-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide (PubChem CID 38905055) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide
PubChem CID38905055
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide
SMILESCCC(=O)c1ccc(OCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O4/c1-2-20(26)17-8-10-19(11-9-17)29-16-21(27)24-12-14-25(15-13-24)22(28)23-18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H,23,28)
InChIKeyMPZPTMSPBNBWOQ-UHFFFAOYSA-N
XLogP3.03
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-oxo-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 17234094
N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide
CID 51214187
1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 134061611
1-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 2715491
1-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 55372379
4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-N-phenylpiperazine-1-carboxamide
CID 38929121
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 7494455
1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110359047
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide
CID 110422037
1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110366355

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide?
The IUPAC name of N-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide (CID 38905055) is N-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide?
The canonical SMILES for N-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide is CCC(=O)c1ccc(OCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of N-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide?
The InChIKey is MPZPTMSPBNBWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-2-20(26)17-8-10-19(11-9-17)29-16-21(27)24-12-14-25(15-13-24)22(28)23-18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H,23,28).
What are the key properties of N-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide?
N-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 38905055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).