ethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate

C24H27N3O5 — CID 55821307

IUPACethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cccc(NC(=O)C3Cc4ccccc4O3)c2)CC1
InChIInChI=1S/C24H27N3O5/c1-2-31-24(30)27-12-10-18(11-13-27)25-22(28)17-7-5-8-19(14-17)26-23(29)21-15-16-6-3-4-9-20(16)32-21/h3-9,14,18,21H,2,10-13,15H2,1H3,(H,25,28)(H,26,29)
InChIKeyWNSMNHGWXXMIHZ-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.98
Rot. Bonds5

About ethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate

ethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 55821307) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is ethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate
PubChem CID55821307
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Nameethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cccc(NC(=O)C3Cc4ccccc4O3)c2)CC1
InChIInChI=1S/C24H27N3O5/c1-2-31-24(30)27-12-10-18(11-13-27)25-22(28)17-7-5-8-19(14-17)26-23(29)21-15-16-6-3-4-9-20(16)32-21/h3-9,14,18,21H,2,10-13,15H2,1H3,(H,25,28)(H,26,29)
InChIKeyWNSMNHGWXXMIHZ-UHFFFAOYSA-N
XLogP2.98
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
N-[3-(3-aminopropylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119406678
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid
CID 120523389
N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119570163
tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate
CID 94812936
N-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119594551
N-[3-[(1-amino-2-cyclopropylpropan-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119573903
N-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 87003658
ethyl 4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepine-4-carbonyl]amino]piperidine-1-carboxylate
CID 97276064
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18140061
N-[3-(3-cyclohexyloxypropylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55821329

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate (CID 55821307) is ethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cccc(NC(=O)C3Cc4ccccc4O3)c2)CC1.
What is the InChIKey of ethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is WNSMNHGWXXMIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-2-31-24(30)27-12-10-18(11-13-27)25-22(28)17-7-5-8-19(14-17)26-23(29)21-15-16-6-3-4-9-20(16)32-21/h3-9,14,18,21H,2,10-13,15H2,1H3,(H,25,28)(H,26,29).
What are the key properties of ethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 437.50 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 55821307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).