ethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate

C20H29N3O4 — CID 34729529

IUPACethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NCC(C)C)CC1
InChIInChI=1S/C20H29N3O4/c1-4-27-20(26)23-11-9-15(10-12-23)18(24)22-17-8-6-5-7-16(17)19(25)21-13-14(2)3/h5-8,14-15H,4,9-13H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyNYEOBSXKRWTKPV-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.88
Rot. Bonds6

About ethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate

ethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 34729529) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is ethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
PubChem CID34729529
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Nameethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NCC(C)C)CC1
InChIInChI=1S/C20H29N3O4/c1-4-27-20(26)23-11-9-15(10-12-23)18(24)22-17-8-6-5-7-16(17)19(25)21-13-14(2)3/h5-8,14-15H,4,9-13H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyNYEOBSXKRWTKPV-UHFFFAOYSA-N
XLogP2.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylpropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 37003937
1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132650704
tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110428314
2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide
CID 119684630
N-[2-(2-methylpropylcarbamoyl)phenyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 34727869
2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide
CID 51230497
tert-butyl 4-[[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 56515888
1-[(2,4-dichlorophenyl)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43923491
3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120603479
ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008681
ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate
CID 113008679
1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132984866

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate (CID 34729529) is ethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NCC(C)C)CC1.
What is the InChIKey of ethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is NYEOBSXKRWTKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-4-27-20(26)23-11-9-15(10-12-23)18(24)22-17-8-6-5-7-16(17)19(25)21-13-14(2)3/h5-8,14-15H,4,9-13H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of ethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate?
ethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 34729529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).