methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate

C16H22N2O4 — CID 110365875

IUPACmethyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)CCc2ccccc2OC)CC1
InChIInChI=1S/C16H22N2O4/c1-21-14-6-4-3-5-13(14)7-8-15(19)17-9-11-18(12-10-17)16(20)22-2/h3-6H,7-12H2,1-2H3
InChIKeyOLENMOGFPTXOOT-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.54
Rot. Bonds4

About methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate

methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate (PubChem CID 110365875) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
PubChem CID110365875
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)CCc2ccccc2OC)CC1
InChIInChI=1S/C16H22N2O4/c1-21-14-6-4-3-5-13(14)7-8-15(19)17-9-11-18(12-10-17)16(20)22-2/h3-6H,7-12H2,1-2H3
InChIKeyOLENMOGFPTXOOT-UHFFFAOYSA-N
XLogP1.54
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110755813
1-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471047
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 39711237
1-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 82090865
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 18456289
methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
CID 110822101
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 95758872
3-(2-methoxyphenyl)-1-[4-(3-oxo-3-phenylpropyl)piperazin-1-yl]propan-1-one
CID 110398643
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 110708802
1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 112537622
1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 142202294
3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one
CID 110739649

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate (CID 110365875) is methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)CCc2ccccc2OC)CC1.
What is the InChIKey of methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate?
The InChIKey is OLENMOGFPTXOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-21-14-6-4-3-5-13(14)7-8-15(19)17-9-11-18(12-10-17)16(20)22-2/h3-6H,7-12H2,1-2H3.
What are the key properties of methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate?
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 110365875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).