ethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate

C21H24N2O4 — CID 6457055

IUPACethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1
InChIInChI=1S/C21H24N2O4/c1-2-26-21(25)23-14-12-22(13-15-23)20(24)18-10-8-17(9-11-18)16-27-19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3
InChIKeyHHFRVTREWVHTEU-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.18
Rot. Bonds5

About ethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate

ethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate (PubChem CID 6457055) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is ethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate
PubChem CID6457055
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Nameethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1
InChIInChI=1S/C21H24N2O4/c1-2-26-21(25)23-14-12-22(13-15-23)20(24)18-10-8-17(9-11-18)16-27-19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3
InChIKeyHHFRVTREWVHTEU-UHFFFAOYSA-N
XLogP3.18
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[4-[(3-methylphenoxy)methyl]benzoyl]piperazine-1-carboxylate
CID 2976842
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
CID 9173331
(4-ethyl-1,4-diazepan-1-yl)-[4-(phenoxymethyl)phenyl]methanone
CID 134813184
benzyl 4-(4-ethoxycarbonyloxybenzoyl)piperazine-1-carboxylate
CID 108567593
ethyl 4-(4-phenoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808983
[4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone
CID 87056027
ethyl 4-[4-(2-phenylsulfanylethoxy)benzoyl]piperazine-1-carboxylate
CID 38002375
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
[4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119645905
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate (CID 6457055) is ethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1.
What is the InChIKey of ethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate?
The InChIKey is HHFRVTREWVHTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-2-26-21(25)23-14-12-22(13-15-23)20(24)18-10-8-17(9-11-18)16-27-19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3.
What are the key properties of ethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate?
ethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate has a molecular weight of 368.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 6457055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).