methyl (2R)-2-(3-chlorophenyl)-2-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]acetate

C23H27ClN2O4 — CID 97064150

IUPACmethyl (2R)-2-(3-chlorophenyl)-2-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]acetate
SMILESCOC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCc2ccccc2OC)CC1
InChIInChI=1S/C23H27ClN2O4/c1-29-20-9-4-3-6-17(20)10-11-21(27)25-12-14-26(15-13-25)22(23(28)30-2)18-7-5-8-19(24)16-18/h3-9,16,22H,10-15H2,1-2H3/t22-/m1/s1
InChIKeySZAZZNHLFYVQCM-JOCHJYFZSA-N
MW430.93 g/mol
LogP3.34
Rot. Bonds7

About methyl (2R)-2-(3-chlorophenyl)-2-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]acetate

methyl (2R)-2-(3-chlorophenyl)-2-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]acetate (PubChem CID 97064150) has the molecular formula C23H27ClN2O4 and a molecular weight of 430.93 g/mol. Its IUPAC name is methyl (2R)-2-(3-chlorophenyl)-2-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(3-chlorophenyl)-2-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]acetate
PubChem CID97064150
Molecular FormulaC23H27ClN2O4
Molecular Weight430.93 g/mol
Exact Mass430.17
IUPAC Namemethyl (2R)-2-(3-chlorophenyl)-2-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]acetate
SMILESCOC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCc2ccccc2OC)CC1
InChIInChI=1S/C23H27ClN2O4/c1-29-20-9-4-3-6-17(20)10-11-21(27)25-12-14-26(15-13-25)22(23(28)30-2)18-7-5-8-19(24)16-18/h3-9,16,22H,10-15H2,1-2H3/t22-/m1/s1
InChIKeySZAZZNHLFYVQCM-JOCHJYFZSA-N
XLogP3.34
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.93
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-(3-chlorophenyl)-2-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]acetate with MolForge

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Related Compounds

methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 110708802
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 39711237
1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 142202294
methyl 2-(4-chlorophenyl)-2-[4-[2-(3,4,5-trimethoxyphenyl)acetyl]piperazin-1-yl]acetate
CID 42885945
3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110755813
1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 53013265
methyl 2-[4-[3-(1,3-benzodioxol-5-yl)propanoyl]piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 43063805
methyl (2S)-2-(2-chlorophenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetate
CID 25471955
1-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471047
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119517304
1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-3-(2,3-dimethoxyphenyl)propan-1-one
CID 55716290

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(3-chlorophenyl)-2-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]acetate?
The IUPAC name of methyl (2R)-2-(3-chlorophenyl)-2-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]acetate (CID 97064150) is methyl (2R)-2-(3-chlorophenyl)-2-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl (2R)-2-(3-chlorophenyl)-2-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl (2R)-2-(3-chlorophenyl)-2-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]acetate is COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCc2ccccc2OC)CC1.
What is the InChIKey of methyl (2R)-2-(3-chlorophenyl)-2-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]acetate?
The InChIKey is SZAZZNHLFYVQCM-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H27ClN2O4/c1-29-20-9-4-3-6-17(20)10-11-21(27)25-12-14-26(15-13-25)22(23(28)30-2)18-7-5-8-19(24)16-18/h3-9,16,22H,10-15H2,1-2H3/t22-/m1/s1.
What are the key properties of methyl (2R)-2-(3-chlorophenyl)-2-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]acetate?
methyl (2R)-2-(3-chlorophenyl)-2-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]acetate has a molecular weight of 430.93 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(3-chlorophenyl)-2-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]acetate is sourced from PubChem (CID 97064150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).