[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate

C26H31FN2O5 — CID 46609950

IUPAC[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESO=C(OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C26H31FN2O5/c27-21-10-8-19(9-11-21)17-29(22-5-2-1-3-6-22)24(30)18-34-26(32)20-12-14-28(15-13-20)25(31)23-7-4-16-33-23/h4,7-11,16,20,22H,1-3,5-6,12-15,17-18H2
InChIKeyMRCWGYPRAWDHLC-UHFFFAOYSA-N
MW470.54 g/mol
LogP4.18
Rot. Bonds7

About [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate

[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate (PubChem CID 46609950) has the molecular formula C26H31FN2O5 and a molecular weight of 470.54 g/mol. Its IUPAC name is [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
PubChem CID46609950
Molecular FormulaC26H31FN2O5
Molecular Weight470.54 g/mol
Exact Mass470.22
IUPAC Name[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESO=C(OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C26H31FN2O5/c27-21-10-8-19(9-11-21)17-29(22-5-2-1-3-6-22)24(30)18-34-26(32)20-12-14-28(15-13-20)25(31)23-7-4-16-33-23/h4,7-11,16,20,22H,1-3,5-6,12-15,17-18H2
InChIKeyMRCWGYPRAWDHLC-UHFFFAOYSA-N
XLogP4.18
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17477799
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 35377549
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 55475565
(3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609681
ethyl 1-[2-[4-[(4-fluorophenyl)methyl-(furan-2-carbonyl)amino]phenyl]acetyl]piperidine-4-carboxylate
CID 46046650
[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 46606002
ethyl 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 17081710
1-(4-chlorobenzoyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 43025139
N-cyclopropyl-1-(furan-2-carbonyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 33354399
[2-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609709
[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-(furan-2-yl)methanone
CID 42844110
azepan-1-yl(furan-2-yl)methanone
CID 5200992

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate (CID 46609950) is [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate is O=C(OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is MRCWGYPRAWDHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2O5/c27-21-10-8-19(9-11-21)17-29(22-5-2-1-3-6-22)24(30)18-34-26(32)20-12-14-28(15-13-20)25(31)23-7-4-16-33-23/h4,7-11,16,20,22H,1-3,5-6,12-15,17-18H2.
What are the key properties of [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 470.54 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 46609950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).