ethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate

C21H30N2O5 — CID 42779984

IUPACethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CCCN(C(=O)c3cc(C)oc3C)C2)C1
InChIInChI=1S/C21H30N2O5/c1-4-27-21(26)17-8-6-9-22(13-17)19(24)16-7-5-10-23(12-16)20(25)18-11-14(2)28-15(18)3/h11,16-17H,4-10,12-13H2,1-3H3
InChIKeyBGGICLLFAFKUGP-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.55
Rot. Bonds4

About ethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate

ethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate (PubChem CID 42779984) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is ethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate
PubChem CID42779984
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Nameethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CCCN(C(=O)c3cc(C)oc3C)C2)C1
InChIInChI=1S/C21H30N2O5/c1-4-27-21(26)17-8-6-9-22(13-17)19(24)16-7-5-10-23(12-16)20(25)18-11-14(2)28-15(18)3/h11,16-17H,4-10,12-13H2,1-3H3
InChIKeyBGGICLLFAFKUGP-UHFFFAOYSA-N
XLogP2.55
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
CID 43406992
1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide
CID 4074750
(3R)-N-[(2R)-butan-2-yl]-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
CID 815151
ethyl (3R)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338523
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026633
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
ethyl 1-[3-[benzyl-(2,5-dimethylfuran-3-carbonyl)amino]propanoyl]piperidine-3-carboxylate
CID 4153618
ethyl 1-(2,4-difluorobenzoyl)piperidine-3-carboxylate
CID 43404470
ethyl (3R)-1-(2,4-difluorobenzoyl)piperidine-3-carboxylate
CID 81338657
ethyl 1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxylate
CID 79765192
ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate
CID 106688676
ethyl (3R)-1-(2,3-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338799

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate (CID 42779984) is ethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CCCN(C(=O)c3cc(C)oc3C)C2)C1.
What is the InChIKey of ethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate?
The InChIKey is BGGICLLFAFKUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-4-27-21(26)17-8-6-9-22(13-17)19(24)16-7-5-10-23(12-16)20(25)18-11-14(2)28-15(18)3/h11,16-17H,4-10,12-13H2,1-3H3.
What are the key properties of ethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate?
ethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 42779984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).