[2-methoxy-4-(2-methoxycarbonyl-3-methylbutyl)phenyl] piperazine-1-carboxylate

C19H28N2O5 — CID 144528678

IUPAC[2-methoxy-4-(2-methoxycarbonyl-3-methylbutyl)phenyl] piperazine-1-carboxylate
SMILESCOC(=O)C(Cc1ccc(OC(=O)N2CCNCC2)c(OC)c1)C(C)C
InChIInChI=1S/C19H28N2O5/c1-13(2)15(18(22)25-4)11-14-5-6-16(17(12-14)24-3)26-19(23)21-9-7-20-8-10-21/h5-6,12-13,15,20H,7-11H2,1-4H3
InChIKeyDGALZFNEECRPNA-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.09
Rot. Bonds6

About [2-methoxy-4-(2-methoxycarbonyl-3-methylbutyl)phenyl] piperazine-1-carboxylate

[2-methoxy-4-(2-methoxycarbonyl-3-methylbutyl)phenyl] piperazine-1-carboxylate (PubChem CID 144528678) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is [2-methoxy-4-(2-methoxycarbonyl-3-methylbutyl)phenyl] piperazine-1-carboxylate.

Molecular Properties

Compound Name[2-methoxy-4-(2-methoxycarbonyl-3-methylbutyl)phenyl] piperazine-1-carboxylate
PubChem CID144528678
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name[2-methoxy-4-(2-methoxycarbonyl-3-methylbutyl)phenyl] piperazine-1-carboxylate
SMILESCOC(=O)C(Cc1ccc(OC(=O)N2CCNCC2)c(OC)c1)C(C)C
InChIInChI=1S/C19H28N2O5/c1-13(2)15(18(22)25-4)11-14-5-6-16(17(12-14)24-3)26-19(23)21-9-7-20-8-10-21/h5-6,12-13,15,20H,7-11H2,1-4H3
InChIKeyDGALZFNEECRPNA-UHFFFAOYSA-N
XLogP2.09
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-methoxy-4-[7-[3-methoxy-4-(piperazine-1-carbonyloxy)phenyl]-3,5-dioxohepta-1,6-dienyl]phenyl] piperazine-1-carboxylate
CID 78090274
N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 95483224
[4-[(1E,6E)-7-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] piperazine-1-carboxylate
CID 71504243
2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone
CID 141462350
methyl (2R)-2-[(3,4-dihydroxyphenyl)methyl]-3-methylbutanoate
CID 70875448
methyl 3-(4-acetyloxy-3-methoxyphenyl)-2-aminopropanoate
CID 170883282
2-(4-ethyl-2-methoxyphenoxy)-1-piperazin-1-ylethanone
CID 107664987
methyl (3R)-4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methylbutanoate
CID 143847693
methyl 4-(3,4-dimethoxyphenyl)-2-hydroxy-3-methylbutanoate
CID 66289003
(2S,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 58000802
(2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 10693323
2-methoxy-5-(2-piperazin-1-ylpropyl)phenol
CID 82024247

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-(2-methoxycarbonyl-3-methylbutyl)phenyl] piperazine-1-carboxylate?
The IUPAC name of [2-methoxy-4-(2-methoxycarbonyl-3-methylbutyl)phenyl] piperazine-1-carboxylate (CID 144528678) is [2-methoxy-4-(2-methoxycarbonyl-3-methylbutyl)phenyl] piperazine-1-carboxylate.
What is the SMILES notation for [2-methoxy-4-(2-methoxycarbonyl-3-methylbutyl)phenyl] piperazine-1-carboxylate?
The canonical SMILES for [2-methoxy-4-(2-methoxycarbonyl-3-methylbutyl)phenyl] piperazine-1-carboxylate is COC(=O)C(Cc1ccc(OC(=O)N2CCNCC2)c(OC)c1)C(C)C.
What is the InChIKey of [2-methoxy-4-(2-methoxycarbonyl-3-methylbutyl)phenyl] piperazine-1-carboxylate?
The InChIKey is DGALZFNEECRPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-13(2)15(18(22)25-4)11-14-5-6-16(17(12-14)24-3)26-19(23)21-9-7-20-8-10-21/h5-6,12-13,15,20H,7-11H2,1-4H3.
What are the key properties of [2-methoxy-4-(2-methoxycarbonyl-3-methylbutyl)phenyl] piperazine-1-carboxylate?
[2-methoxy-4-(2-methoxycarbonyl-3-methylbutyl)phenyl] piperazine-1-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-(2-methoxycarbonyl-3-methylbutyl)phenyl] piperazine-1-carboxylate is sourced from PubChem (CID 144528678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).