piperazin-1-yl 2,2-dimethyl-4-oxo-4-(4-phenylmethoxyphenyl)butanoate

C23H28N2O4 — CID 174722585

IUPACpiperazin-1-yl 2,2-dimethyl-4-oxo-4-(4-phenylmethoxyphenyl)butanoate
SMILESCC(C)(CC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)ON1CCNCC1
InChIInChI=1S/C23H28N2O4/c1-23(2,22(27)29-25-14-12-24-13-15-25)16-21(26)19-8-10-20(11-9-19)28-17-18-6-4-3-5-7-18/h3-11,24H,12-17H2,1-2H3
InChIKeyXHCNNHQXIZQFMH-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.23
Rot. Bonds8

About piperazin-1-yl 2,2-dimethyl-4-oxo-4-(4-phenylmethoxyphenyl)butanoate

piperazin-1-yl 2,2-dimethyl-4-oxo-4-(4-phenylmethoxyphenyl)butanoate (PubChem CID 174722585) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is piperazin-1-yl 2,2-dimethyl-4-oxo-4-(4-phenylmethoxyphenyl)butanoate.

Molecular Properties

Compound Namepiperazin-1-yl 2,2-dimethyl-4-oxo-4-(4-phenylmethoxyphenyl)butanoate
PubChem CID174722585
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Namepiperazin-1-yl 2,2-dimethyl-4-oxo-4-(4-phenylmethoxyphenyl)butanoate
SMILESCC(C)(CC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)ON1CCNCC1
InChIInChI=1S/C23H28N2O4/c1-23(2,22(27)29-25-14-12-24-13-15-25)16-21(26)19-8-10-20(11-9-19)28-17-18-6-4-3-5-7-18/h3-11,24H,12-17H2,1-2H3
InChIKeyXHCNNHQXIZQFMH-UHFFFAOYSA-N
XLogP3.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82263325
4-phenylmethoxybenzoic acid
CID 68896574
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
oxalic acid;1-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine
CID 2944466
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
oxalic acid;1-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 2944148
(3R)-2,2-dimethyl-3-(4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171190739
2-amino-1-(4-phenylmethoxyphenyl)ethanone
CID 14579463
2-chloro-1-(4-phenylmethoxyphenyl)ethanone
CID 14579462
tert-butyl 4-[2-[(4-phenylmethoxybenzoyl)amino]acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-hydroxy-N-[2-oxo-2-[4-(2-phenylacetyl)piperazin-1-yl]ethyl]benzamide;N-[2-oxo-2-[4-(2-phenylacetyl)piperazin-1-yl]ethyl]-4-phenylmethoxybenzamide;N-(2-oxo-2-piperazin-1-ylethyl)-4-phenylmethoxybenzamide;2-phenylacetic acid;2-[(4-phenylmethoxybenzoyl)amino]acetic acid
CID 162213567
[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-hydroxy-2,2-diphenylacetate
CID 4269875
(2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 66700357

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl 2,2-dimethyl-4-oxo-4-(4-phenylmethoxyphenyl)butanoate?
The IUPAC name of piperazin-1-yl 2,2-dimethyl-4-oxo-4-(4-phenylmethoxyphenyl)butanoate (CID 174722585) is piperazin-1-yl 2,2-dimethyl-4-oxo-4-(4-phenylmethoxyphenyl)butanoate.
What is the SMILES notation for piperazin-1-yl 2,2-dimethyl-4-oxo-4-(4-phenylmethoxyphenyl)butanoate?
The canonical SMILES for piperazin-1-yl 2,2-dimethyl-4-oxo-4-(4-phenylmethoxyphenyl)butanoate is CC(C)(CC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)ON1CCNCC1.
What is the InChIKey of piperazin-1-yl 2,2-dimethyl-4-oxo-4-(4-phenylmethoxyphenyl)butanoate?
The InChIKey is XHCNNHQXIZQFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-23(2,22(27)29-25-14-12-24-13-15-25)16-21(26)19-8-10-20(11-9-19)28-17-18-6-4-3-5-7-18/h3-11,24H,12-17H2,1-2H3.
What are the key properties of piperazin-1-yl 2,2-dimethyl-4-oxo-4-(4-phenylmethoxyphenyl)butanoate?
piperazin-1-yl 2,2-dimethyl-4-oxo-4-(4-phenylmethoxyphenyl)butanoate has a molecular weight of 396.49 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl 2,2-dimethyl-4-oxo-4-(4-phenylmethoxyphenyl)butanoate is sourced from PubChem (CID 174722585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).