ethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate

C21H30N2O4 — CID 110297471

IUPACethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CC(c2ccc(OC)c(C)c2)C2CC2)CC1
InChIInChI=1S/C21H30N2O4/c1-4-27-21(25)23-11-9-22(10-12-23)20(24)14-18(16-5-6-16)17-7-8-19(26-3)15(2)13-17/h7-8,13,16,18H,4-6,9-12,14H2,1-3H3
InChIKeyOULSULKKGVBYQB-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.19
Rot. Bonds6

About ethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate

ethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate (PubChem CID 110297471) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is ethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate
PubChem CID110297471
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Nameethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CC(c2ccc(OC)c(C)c2)C2CC2)CC1
InChIInChI=1S/C21H30N2O4/c1-4-27-21(25)23-11-9-22(10-12-23)20(24)14-18(16-5-6-16)17-7-8-19(26-3)15(2)13-17/h7-8,13,16,18H,4-6,9-12,14H2,1-3H3
InChIKeyOULSULKKGVBYQB-UHFFFAOYSA-N
XLogP3.19
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 110312177
ethyl 4-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazine-1-carboxylate
CID 110297519
1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide
CID 110673883
ethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate
CID 110413273
3-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 110306820
ethyl 4-[[3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoyl]amino]piperidine-1-carboxylate
CID 110297431
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 110297458
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide
CID 110611785
2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
CID 82024046
3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 112512772
3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
CID 82079052
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide
CID 110310845

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate (CID 110297471) is ethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CC(c2ccc(OC)c(C)c2)C2CC2)CC1.
What is the InChIKey of ethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate?
The InChIKey is OULSULKKGVBYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-4-27-21(25)23-11-9-22(10-12-23)20(24)14-18(16-5-6-16)17-7-8-19(26-3)15(2)13-17/h7-8,13,16,18H,4-6,9-12,14H2,1-3H3.
What are the key properties of ethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate?
ethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate has a molecular weight of 374.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 110297471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).