methyl 4-acetyl-1-[4-(4-methoxyphenyl)-2-oxobutyl]piperazine-2-carboxylate

C19H26N2O5 — CID 147912715

IUPACmethyl 4-acetyl-1-[4-(4-methoxyphenyl)-2-oxobutyl]piperazine-2-carboxylate
SMILESCOC(=O)C1CN(C(C)=O)CCN1CC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C19H26N2O5/c1-14(22)20-10-11-21(18(13-20)19(24)26-3)12-16(23)7-4-15-5-8-17(25-2)9-6-15/h5-6,8-9,18H,4,7,10-13H2,1-3H3
InChIKeyIGLKAYQMQYHMIP-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.90
Rot. Bonds7

About methyl 4-acetyl-1-[4-(4-methoxyphenyl)-2-oxobutyl]piperazine-2-carboxylate

methyl 4-acetyl-1-[4-(4-methoxyphenyl)-2-oxobutyl]piperazine-2-carboxylate (PubChem CID 147912715) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 4-acetyl-1-[4-(4-methoxyphenyl)-2-oxobutyl]piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetyl-1-[4-(4-methoxyphenyl)-2-oxobutyl]piperazine-2-carboxylate
PubChem CID147912715
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Namemethyl 4-acetyl-1-[4-(4-methoxyphenyl)-2-oxobutyl]piperazine-2-carboxylate
SMILESCOC(=O)C1CN(C(C)=O)CCN1CC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C19H26N2O5/c1-14(22)20-10-11-21(18(13-20)19(24)26-3)12-16(23)7-4-15-5-8-17(25-2)9-6-15/h5-6,8-9,18H,4,7,10-13H2,1-3H3
InChIKeyIGLKAYQMQYHMIP-UHFFFAOYSA-N
XLogP0.90
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 5-[3-(acetyloxymethyl)-4-[4-(4-methoxyphenyl)-2-oxobutyl]piperazin-1-yl]-5-oxopentanoate
CID 149206975
1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 84579645
1-[4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 110109426
2-[(2S)-4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124969488
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
methyl (2R,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 134263030
1-[4-acetyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110252415
1-[(3S)-3-(4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 124947507
2-(4-methoxyphenyl)-1-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 110658153
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide
CID 110306347
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
methyl (2S)-1-(4-methoxyphenyl)aziridine-2-carboxylate
CID 102355680

Frequently Asked Questions

What is the IUPAC name of methyl 4-acetyl-1-[4-(4-methoxyphenyl)-2-oxobutyl]piperazine-2-carboxylate?
The IUPAC name of methyl 4-acetyl-1-[4-(4-methoxyphenyl)-2-oxobutyl]piperazine-2-carboxylate (CID 147912715) is methyl 4-acetyl-1-[4-(4-methoxyphenyl)-2-oxobutyl]piperazine-2-carboxylate.
What is the SMILES notation for methyl 4-acetyl-1-[4-(4-methoxyphenyl)-2-oxobutyl]piperazine-2-carboxylate?
The canonical SMILES for methyl 4-acetyl-1-[4-(4-methoxyphenyl)-2-oxobutyl]piperazine-2-carboxylate is COC(=O)C1CN(C(C)=O)CCN1CC(=O)CCc1ccc(OC)cc1.
What is the InChIKey of methyl 4-acetyl-1-[4-(4-methoxyphenyl)-2-oxobutyl]piperazine-2-carboxylate?
The InChIKey is IGLKAYQMQYHMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-14(22)20-10-11-21(18(13-20)19(24)26-3)12-16(23)7-4-15-5-8-17(25-2)9-6-15/h5-6,8-9,18H,4,7,10-13H2,1-3H3.
What are the key properties of methyl 4-acetyl-1-[4-(4-methoxyphenyl)-2-oxobutyl]piperazine-2-carboxylate?
methyl 4-acetyl-1-[4-(4-methoxyphenyl)-2-oxobutyl]piperazine-2-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 0.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetyl-1-[4-(4-methoxyphenyl)-2-oxobutyl]piperazine-2-carboxylate is sourced from PubChem (CID 147912715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).