[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate

C20H21ClN2O5 — CID 8635163

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
SMILESO=C(COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)NCc1ccco1
InChIInChI=1S/C20H21ClN2O5/c21-16-5-3-14(4-6-16)19(25)23-9-7-15(8-10-23)20(26)28-13-18(24)22-12-17-2-1-11-27-17/h1-6,11,15H,7-10,12-13H2,(H,22,24)
InChIKeyXLZDCNYDYFETRD-UHFFFAOYSA-N
MW404.85 g/mol
LogP2.64
Rot. Bonds6

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate (PubChem CID 8635163) has the molecular formula C20H21ClN2O5 and a molecular weight of 404.85 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
PubChem CID8635163
Molecular FormulaC20H21ClN2O5
Molecular Weight404.85 g/mol
Exact Mass404.11
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
SMILESO=C(COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)NCc1ccco1
InChIInChI=1S/C20H21ClN2O5/c21-16-5-3-14(4-6-16)19(25)23-9-7-15(8-10-23)20(26)28-13-18(24)22-12-17-2-1-11-27-17/h1-6,11,15H,7-10,12-13H2,(H,22,24)
InChIKeyXLZDCNYDYFETRD-UHFFFAOYSA-N
XLogP2.64
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 9340167
[2-(cyclohexylmethylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635167
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635164
[2-(cycloheptylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 3376009
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739988
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 46020304
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635099
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 46794784
[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 24981185
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717562
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 4830946

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate (CID 8635163) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate is O=C(COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
The InChIKey is XLZDCNYDYFETRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O5/c21-16-5-3-14(4-6-16)19(25)23-9-7-15(8-10-23)20(26)28-13-18(24)22-12-17-2-1-11-27-17/h1-6,11,15H,7-10,12-13H2,(H,22,24).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate has a molecular weight of 404.85 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 8635163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).