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

C17H23N3O6 — CID 118792659

IUPACethyl 4-[(2-methoxy-5-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Nc2cc(C(=O)OC)ccc2OC)CC1
InChIInChI=1S/C17H23N3O6/c1-4-26-17(23)20-9-7-19(8-10-20)16(22)18-13-11-12(15(21)25-3)5-6-14(13)24-2/h5-6,11H,4,7-10H2,1-3H3,(H,18,22)
InChIKeyDBIMGQSDDZJGKF-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.79
Rot. Bonds4

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

ethyl 4-[(2-methoxy-5-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate (PubChem CID 118792659) has the molecular formula C17H23N3O6 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 4-[(2-methoxy-5-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-methoxy-5-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate
PubChem CID118792659
Molecular FormulaC17H23N3O6
Molecular Weight365.39 g/mol
Exact Mass365.16
IUPAC Nameethyl 4-[(2-methoxy-5-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Nc2cc(C(=O)OC)ccc2OC)CC1
InChIInChI=1S/C17H23N3O6/c1-4-26-17(23)20-9-7-19(8-10-20)16(22)18-13-11-12(15(21)25-3)5-6-14(13)24-2/h5-6,11H,4,7-10H2,1-3H3,(H,18,22)
InChIKeyDBIMGQSDDZJGKF-UHFFFAOYSA-N
XLogP1.79
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(3-acetamido-4-methoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110809030
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
ethyl 4-[3-(2,5-dimethoxyanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950355
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
ethyl 4-[[5-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]-2,6-dimethyl-3-pyridinyl]carbamoyl]piperazine-1-carboxylate
CID 4616185
ethyl 4-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8932092
ethyl 4-(3-acetamido-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 8777810
methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate
CID 97436839
ethyl 4-[3-(2-chloro-5-methoxycarbonylanilino)propanoyl]piperazine-1-carboxylate
CID 109029083
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 95178995
ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate
CID 43761080
methyl 3-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113513

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methoxy-5-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-methoxy-5-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate (CID 118792659) is ethyl 4-[(2-methoxy-5-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-methoxy-5-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-methoxy-5-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Nc2cc(C(=O)OC)ccc2OC)CC1.
What is the InChIKey of ethyl 4-[(2-methoxy-5-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate?
The InChIKey is DBIMGQSDDZJGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O6/c1-4-26-17(23)20-9-7-19(8-10-20)16(22)18-13-11-12(15(21)25-3)5-6-14(13)24-2/h5-6,11H,4,7-10H2,1-3H3,(H,18,22).
What are the key properties of ethyl 4-[(2-methoxy-5-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate?
ethyl 4-[(2-methoxy-5-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methoxy-5-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 118792659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).