ethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate

C26H34FN3O4 — CID 3528580

IUPACethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(CN(Cc3cccc(F)c3)C3CCCCC3)o2)CC1
InChIInChI=1S/C26H34FN3O4/c1-2-33-26(32)29-15-13-28(14-16-29)25(31)24-12-11-23(34-24)19-30(22-9-4-3-5-10-22)18-20-7-6-8-21(27)17-20/h6-8,11-12,17,22H,2-5,9-10,13-16,18-19H2,1H3
InChIKeyIHNPTLRBWSNJCB-UHFFFAOYSA-N
MW471.57 g/mol
LogP4.67
Rot. Bonds7

About ethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate

ethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate (PubChem CID 3528580) has the molecular formula C26H34FN3O4 and a molecular weight of 471.57 g/mol. Its IUPAC name is ethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate
PubChem CID3528580
Molecular FormulaC26H34FN3O4
Molecular Weight471.57 g/mol
Exact Mass471.25
IUPAC Nameethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(CN(Cc3cccc(F)c3)C3CCCCC3)o2)CC1
InChIInChI=1S/C26H34FN3O4/c1-2-33-26(32)29-15-13-28(14-16-29)25(31)24-12-11-23(34-24)19-30(22-9-4-3-5-10-22)18-20-7-6-8-21(27)17-20/h6-8,11-12,17,22H,2-5,9-10,13-16,18-19H2,1H3
InChIKeyIHNPTLRBWSNJCB-UHFFFAOYSA-N
XLogP4.67
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate with MolForge

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Related Compounds

N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide
CID 3652203
ethyl 1-[5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-3-carboxylate
CID 42753712
[5-[[benzyl(cyclohexyl)amino]methyl]furan-2-yl]-morpholin-4-ylmethanone
CID 5198933
[5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42750820
1-[4-[5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]furan-2-carbonyl]piperazin-1-yl]ethanone
CID 42750851
[5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 5199730
[5-[[(3-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 1200054
3-[1-[5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 3940788
ethyl 4-[5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate
CID 3376338
ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
CID 78833666
[5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 4030904
[5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42753707

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate (CID 3528580) is ethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(CN(Cc3cccc(F)c3)C3CCCCC3)o2)CC1.
What is the InChIKey of ethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate?
The InChIKey is IHNPTLRBWSNJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O4/c1-2-33-26(32)29-15-13-28(14-16-29)25(31)24-12-11-23(34-24)19-30(22-9-4-3-5-10-22)18-20-7-6-8-21(27)17-20/h6-8,11-12,17,22H,2-5,9-10,13-16,18-19H2,1H3.
What are the key properties of ethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate?
ethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate has a molecular weight of 471.57 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 3528580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).