ethyl 4-[[2-[methyl(phenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate

C20H27N3O4 — CID 109138897

IUPACethyl 4-[[2-[methyl(phenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CC2C(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C20H27N3O4/c1-3-27-20(26)23-11-9-14(10-12-23)21-18(24)16-13-17(16)19(25)22(2)15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3,(H,21,24)
InChIKeyYSBOAUYQVSIAEJ-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.02
Rot. Bonds5

About ethyl 4-[[2-[methyl(phenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[methyl(phenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate (PubChem CID 109138897) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is ethyl 4-[[2-[methyl(phenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[methyl(phenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
PubChem CID109138897
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Nameethyl 4-[[2-[methyl(phenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CC2C(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C20H27N3O4/c1-3-27-20(26)23-11-9-14(10-12-23)21-18(24)16-13-17(16)19(25)22(2)15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3,(H,21,24)
InChIKeyYSBOAUYQVSIAEJ-UHFFFAOYSA-N
XLogP2.02
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-[3-(dimethylamino)propylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109134001
ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate
CID 113167125
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109138917
ethyl 4-[3-(N-acetylanilino)propanoylamino]piperidine-1-carboxylate
CID 113123393
ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate
CID 47840553
ethyl 4-[[N'-[2-[benzyl(methyl)amino]ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111078737
ethyl 4-[[2-(butylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109131267
ethyl 4-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]piperidine-1-carboxylate
CID 46491359
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
ethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 31542226
ethyl 4-[[N'-methyl-N-[2-(N-methylanilino)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111329164

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[methyl(phenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[methyl(phenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate (CID 109138897) is ethyl 4-[[2-[methyl(phenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[methyl(phenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[methyl(phenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CC2C(=O)N(C)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[[2-[methyl(phenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
The InChIKey is YSBOAUYQVSIAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-3-27-20(26)23-11-9-14(10-12-23)21-18(24)16-13-17(16)19(25)22(2)15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3,(H,21,24).
What are the key properties of ethyl 4-[[2-[methyl(phenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[methyl(phenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[methyl(phenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109138897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).