methyl 2-(2-chlorophenyl)-2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]acetate

C23H27ClN2O5 — CID 46553316

IUPACmethyl 2-(2-chlorophenyl)-2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]acetate
SMILESCCOc1cc(C(=O)N2CCN(C(C(=O)OC)c3ccccc3Cl)CC2)ccc1OC
InChIInChI=1S/C23H27ClN2O5/c1-4-31-20-15-16(9-10-19(20)29-2)22(27)26-13-11-25(12-14-26)21(23(28)30-3)17-7-5-6-8-18(17)24/h5-10,15,21H,4,11-14H2,1-3H3
InChIKeyUYWDHPVJKQPYFO-UHFFFAOYSA-N
MW446.93 g/mol
LogP3.42
Rot. Bonds7

About methyl 2-(2-chlorophenyl)-2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]acetate

methyl 2-(2-chlorophenyl)-2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]acetate (PubChem CID 46553316) has the molecular formula C23H27ClN2O5 and a molecular weight of 446.93 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)-2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)-2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]acetate
PubChem CID46553316
Molecular FormulaC23H27ClN2O5
Molecular Weight446.93 g/mol
Exact Mass446.16
IUPAC Namemethyl 2-(2-chlorophenyl)-2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]acetate
SMILESCCOc1cc(C(=O)N2CCN(C(C(=O)OC)c3ccccc3Cl)CC2)ccc1OC
InChIInChI=1S/C23H27ClN2O5/c1-4-31-20-15-16(9-10-19(20)29-2)22(27)26-13-11-25(12-14-26)21(23(28)30-3)17-7-5-6-8-18(17)24/h5-10,15,21H,4,11-14H2,1-3H3
InChIKeyUYWDHPVJKQPYFO-UHFFFAOYSA-N
XLogP3.42
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.93
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2R)-2-(2-chlorophenyl)-2-[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperazin-1-yl]acetate
CID 51929508
ethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]acetate
CID 51644690
methyl 2-(2-chlorophenyl)-2-[4-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetate
CID 55818662
methyl (2S)-2-(2-chlorophenyl)-2-[4-[(3-fluoro-4-methoxyphenyl)carbamoyl]piperazin-1-yl]acetate
CID 97254392
methyl 2-[4-[(E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)prop-2-enoyl]piperazin-1-yl]-2-(2-chlorophenyl)acetate
CID 42946242
methyl 2-[4-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]piperazin-1-yl]-2-(2-chlorophenyl)acetate
CID 55532998
methyl 2-(2-chlorophenyl)-2-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]acetate
CID 55492463
(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone
CID 39260978
methyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate
CID 37287107
methyl 4-(3-chloro-4-ethoxybenzoyl)piperazine-1-carboxylate
CID 110803291
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone
CID 55548437
ethyl 2-(4-chlorophenyl)-2-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]acetate
CID 24560560

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)-2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-(2-chlorophenyl)-2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]acetate (CID 46553316) is methyl 2-(2-chlorophenyl)-2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-(2-chlorophenyl)-2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-(2-chlorophenyl)-2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]acetate is CCOc1cc(C(=O)N2CCN(C(C(=O)OC)c3ccccc3Cl)CC2)ccc1OC.
What is the InChIKey of methyl 2-(2-chlorophenyl)-2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]acetate?
The InChIKey is UYWDHPVJKQPYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O5/c1-4-31-20-15-16(9-10-19(20)29-2)22(27)26-13-11-25(12-14-26)21(23(28)30-3)17-7-5-6-8-18(17)24/h5-10,15,21H,4,11-14H2,1-3H3.
What are the key properties of methyl 2-(2-chlorophenyl)-2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]acetate?
methyl 2-(2-chlorophenyl)-2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]acetate has a molecular weight of 446.93 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenyl)-2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]acetate is sourced from PubChem (CID 46553316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).