ethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate

C18H26N2O5 — CID 92684270

IUPACethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)[C@@H](CC)Oc2cccc(OC)c2)CC1
InChIInChI=1S/C18H26N2O5/c1-4-16(25-15-8-6-7-14(13-15)23-3)17(21)19-9-11-20(12-10-19)18(22)24-5-2/h6-8,13,16H,4-5,9-12H2,1-3H3/t16-/m1/s1
InChIKeyWLGJIJQKXKISCI-MRXNPFEDSA-N
MW350.42 g/mol
LogP2.15
Rot. Bonds6

About ethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate

ethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate (PubChem CID 92684270) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate
PubChem CID92684270
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Nameethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)[C@@H](CC)Oc2cccc(OC)c2)CC1
InChIInChI=1S/C18H26N2O5/c1-4-16(25-15-8-6-7-14(13-15)23-3)17(21)19-9-11-20(12-10-19)18(22)24-5-2/h6-8,13,16H,4-5,9-12H2,1-3H3/t16-/m1/s1
InChIKeyWLGJIJQKXKISCI-MRXNPFEDSA-N
XLogP2.15
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carbaldehyde
CID 99956942
(2R)-2-(3-methoxyphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 94019783
methyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate
CID 46763822
ethyl 4-[2-(4-fluorophenoxy)butanoyl]piperazine-1-carboxylate
CID 43875370
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
CID 7302330
(2S)-1-(3,3-dimethylpiperidin-1-yl)-2-(3-methoxyphenoxy)butan-1-one
CID 28571684
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one
CID 28633499
ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003882
(2R)-2-(3-methoxyphenoxy)butanoate
CID 7022552
ethyl 3-cyclopropyl-2-(3-methoxyphenoxy)propanoate
CID 142960753
2-(3,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 132657409
2-(3,4-dimethylphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 17250166

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate (CID 92684270) is ethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)[C@@H](CC)Oc2cccc(OC)c2)CC1.
What is the InChIKey of ethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate?
The InChIKey is WLGJIJQKXKISCI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-4-16(25-15-8-6-7-14(13-15)23-3)17(21)19-9-11-20(12-10-19)18(22)24-5-2/h6-8,13,16H,4-5,9-12H2,1-3H3/t16-/m1/s1.
What are the key properties of ethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate?
ethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 92684270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).