ethyl 4-[2-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate

C18H21F2N3O4 — CID 109138987

IUPACethyl 4-[2-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CC2C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H21F2N3O4/c1-2-27-18(26)23-7-5-22(6-8-23)17(25)13-10-12(13)16(24)21-11-3-4-14(19)15(20)9-11/h3-4,9,12-13H,2,5-8,10H2,1H3,(H,21,24)
InChIKeyUYSRQVYGFJXHPI-UHFFFAOYSA-N
MW381.38 g/mol
LogP1.84
Rot. Bonds4

About ethyl 4-[2-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate

ethyl 4-[2-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate (PubChem CID 109138987) has the molecular formula C18H21F2N3O4 and a molecular weight of 381.38 g/mol. Its IUPAC name is ethyl 4-[2-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
PubChem CID109138987
Molecular FormulaC18H21F2N3O4
Molecular Weight381.38 g/mol
Exact Mass381.15
IUPAC Nameethyl 4-[2-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CC2C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H21F2N3O4/c1-2-27-18(26)23-7-5-22(6-8-23)17(25)13-10-12(13)16(24)21-11-3-4-14(19)15(20)9-11/h3-4,9,12-13H,2,5-8,10H2,1H3,(H,21,24)
InChIKeyUYSRQVYGFJXHPI-UHFFFAOYSA-N
XLogP1.84
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109139282
ethyl 4-[2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109138972
N-(3,4-dimethylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134387
ethyl 4-[3-(3,4-difluoroanilino)-3-oxopropyl]piperazin-4-ium-1-carboxylate
CID 5159237
1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142798
ethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109138917
2-(4-ethylpiperazine-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 109134381
ethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109133425
1-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133083
1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139691
ethyl 4-[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109131655
2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 54918475

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate (CID 109138987) is ethyl 4-[2-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CC2C(=O)Nc2ccc(F)c(F)c2)CC1.
What is the InChIKey of ethyl 4-[2-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate?
The InChIKey is UYSRQVYGFJXHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O4/c1-2-27-18(26)23-7-5-22(6-8-23)17(25)13-10-12(13)16(24)21-11-3-4-14(19)15(20)9-11/h3-4,9,12-13H,2,5-8,10H2,1H3,(H,21,24).
What are the key properties of ethyl 4-[2-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate?
ethyl 4-[2-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate has a molecular weight of 381.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109138987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).