ethyl 1-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carbonyl]piperidine-3-carboxylate

C29H37NO5 — CID 21046413

IUPACethyl 1-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc(C(=O)c3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)C1
InChIInChI=1S/C29H37NO5/c1-7-34-27(33)19-9-8-14-30(17-19)26(32)24-11-10-23(35-24)25(31)20-16-22-21(15-18(20)2)28(3,4)12-13-29(22,5)6/h10-11,15-16,19H,7-9,12-14,17H2,1-6H3
InChIKeyFEZAZLKGPGKLET-UHFFFAOYSA-N
MW479.62 g/mol
LogP5.58
Rot. Bonds5

About ethyl 1-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carbonyl]piperidine-3-carboxylate

ethyl 1-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carbonyl]piperidine-3-carboxylate (PubChem CID 21046413) has the molecular formula C29H37NO5 and a molecular weight of 479.62 g/mol. Its IUPAC name is ethyl 1-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carbonyl]piperidine-3-carboxylate
PubChem CID21046413
Molecular FormulaC29H37NO5
Molecular Weight479.62 g/mol
Exact Mass479.27
IUPAC Nameethyl 1-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc(C(=O)c3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)C1
InChIInChI=1S/C29H37NO5/c1-7-34-27(33)19-9-8-14-30(17-19)26(32)24-11-10-23(35-24)25(31)20-16-22-21(15-18(20)2)28(3,4)12-13-29(22,5)6/h10-11,15-16,19H,7-9,12-14,17H2,1-6H3
InChIKeyFEZAZLKGPGKLET-UHFFFAOYSA-N
XLogP5.58
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.62
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carbonyl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl (3S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylate
CID 81338389
ethyl (3R)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338523
ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788
ethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 42779984
(3-methylpiperidin-1-yl)-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-yl]methanone
CID 21045568
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
ethyl (3S)-1-(2,6-dimethylbenzoyl)piperidine-3-carboxylate
CID 103783546
ethyl 1-(4-amino-3-hydroxybenzoyl)piperidine-3-carboxylate
CID 107074308
ethyl 1-[5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-3-carboxylate
CID 42753712
ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
CID 43406992
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carbonyl]piperidine-3-carboxylate (CID 21046413) is ethyl 1-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2ccc(C(=O)c3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)C1.
What is the InChIKey of ethyl 1-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carbonyl]piperidine-3-carboxylate?
The InChIKey is FEZAZLKGPGKLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37NO5/c1-7-34-27(33)19-9-8-14-30(17-19)26(32)24-11-10-23(35-24)25(31)20-16-22-21(15-18(20)2)28(3,4)12-13-29(22,5)6/h10-11,15-16,19H,7-9,12-14,17H2,1-6H3.
What are the key properties of ethyl 1-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carbonyl]piperidine-3-carboxylate?
ethyl 1-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carbonyl]piperidine-3-carboxylate has a molecular weight of 479.62 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 21046413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).