ethyl 1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate

C22H27N3O5 — CID 8773092

IUPACethyl 1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1
InChIInChI=1S/C22H27N3O5/c1-2-29-22(28)16-9-11-25(12-10-16)15-20(26)24-19-8-4-3-7-18(19)21(27)23-14-17-6-5-13-30-17/h3-8,13,16H,2,9-12,14-15H2,1H3,(H,23,27)(H,24,26)
InChIKeyKDXVLHRLPHFUFG-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.42
Rot. Bonds8

About ethyl 1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate

ethyl 1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 8773092) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is ethyl 1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
PubChem CID8773092
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Nameethyl 1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1
InChIInChI=1S/C22H27N3O5/c1-2-29-22(28)16-9-11-25(12-10-16)15-20(26)24-19-8-4-3-7-18(19)21(27)23-14-17-6-5-13-30-17/h3-8,13,16H,2,9-12,14-15H2,1H3,(H,23,27)(H,24,26)
InChIKeyKDXVLHRLPHFUFG-UHFFFAOYSA-N
XLogP2.42
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 8772796
ethyl 1-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 26629566
2-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 26551359
2-[[2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 24507507
ethyl (3R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 26496028
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34648175
ethyl 1-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931532
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
2-(4-ethoxypiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 52728905
2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339123
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate (CID 8773092) is ethyl 1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1.
What is the InChIKey of ethyl 1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is KDXVLHRLPHFUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-2-29-22(28)16-9-11-25(12-10-16)15-20(26)24-19-8-4-3-7-18(19)21(27)23-14-17-6-5-13-30-17/h3-8,13,16H,2,9-12,14-15H2,1H3,(H,23,27)(H,24,26).
What are the key properties of ethyl 1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate?
ethyl 1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 413.47 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 8773092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).