ethyl 4-[2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate

C20H27N3O5 — CID 109138972

IUPACethyl 4-[2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CC2C(=O)Nc2cc(C)ccc2OC)CC1
InChIInChI=1S/C20H27N3O5/c1-4-28-20(26)23-9-7-22(8-10-23)19(25)15-12-14(15)18(24)21-16-11-13(2)5-6-17(16)27-3/h5-6,11,14-15H,4,7-10,12H2,1-3H3,(H,21,24)
InChIKeyBYLNDQVFKXGWTH-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.88
Rot. Bonds5

About ethyl 4-[2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate

ethyl 4-[2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate (PubChem CID 109138972) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is ethyl 4-[2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
PubChem CID109138972
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Nameethyl 4-[2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CC2C(=O)Nc2cc(C)ccc2OC)CC1
InChIInChI=1S/C20H27N3O5/c1-4-28-20(26)23-9-7-22(8-10-23)19(25)15-12-14(15)18(24)21-16-11-13(2)5-6-17(16)27-3/h5-6,11,14-15H,4,7-10,12H2,1-3H3,(H,21,24)
InChIKeyBYLNDQVFKXGWTH-UHFFFAOYSA-N
XLogP1.88
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate (CID 109138972) is ethyl 4-[2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CC2C(=O)Nc2cc(C)ccc2OC)CC1.
What is the InChIKey of ethyl 4-[2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate?
The InChIKey is BYLNDQVFKXGWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-4-28-20(26)23-9-7-22(8-10-23)19(25)15-12-14(15)18(24)21-16-11-13(2)5-6-17(16)27-3/h5-6,11,14-15H,4,7-10,12H2,1-3H3,(H,21,24).
What are the key properties of ethyl 4-[2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate?
ethyl 4-[2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate has a molecular weight of 389.45 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109138972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).