ethyl 4-(2-methoxyethyl)-1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylate

C20H33NO4 — CID 25461112

IUPACethyl 4-(2-methoxyethyl)-1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOC)CCN(CC[C@H](C)c2ccc(C)o2)CC1
InChIInChI=1S/C20H33NO4/c1-5-24-19(22)20(11-15-23-4)9-13-21(14-10-20)12-8-16(2)18-7-6-17(3)25-18/h6-7,16H,5,8-15H2,1-4H3/t16-/m0/s1
InChIKeyQTEFBZJUAJRWLT-INIZCTEOSA-N
MW351.49 g/mol
LogP3.76
Rot. Bonds9

About ethyl 4-(2-methoxyethyl)-1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylate

ethyl 4-(2-methoxyethyl)-1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylate (PubChem CID 25461112) has the molecular formula C20H33NO4 and a molecular weight of 351.49 g/mol. Its IUPAC name is ethyl 4-(2-methoxyethyl)-1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyethyl)-1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylate
PubChem CID25461112
Molecular FormulaC20H33NO4
Molecular Weight351.49 g/mol
Exact Mass351.24
IUPAC Nameethyl 4-(2-methoxyethyl)-1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOC)CCN(CC[C@H](C)c2ccc(C)o2)CC1
InChIInChI=1S/C20H33NO4/c1-5-24-19(22)20(11-15-23-4)9-13-21(14-10-20)12-8-16(2)18-7-6-17(3)25-18/h6-7,16H,5,8-15H2,1-4H3/t16-/m0/s1
InChIKeyQTEFBZJUAJRWLT-INIZCTEOSA-N
XLogP3.76
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2,2-diphenylethyl)-4-(2-methoxyethyl)piperidine-4-carboxylate
CID 42567082
1-[3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxamide
CID 44828082
ethyl 4-[[(2R)-6-[(3R)-3-(5-methylfuran-2-yl)butyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 26282736
4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid
CID 95872164
ethyl 4-(2-methoxyethyl)piperidine-4-carboxylate
CID 56753969
ethyl 1-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate
CID 42096266
ethyl 1-(2-methoxyethyl)-4-methylidenecyclohexane-1-carboxylate
CID 58230019
ethyl 2-amino-5-(5-methylfuran-2-yl)hexanoate
CID 170884770
ethyl 4-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-4-carboxylate
CID 42518725
ethyl 1-[2-(dimethylamino)-2-(2-methylphenyl)acetyl]-4-(2-methoxyethyl)piperidine-4-carboxylate
CID 45223738
1-(3-methoxypropyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26230801
ethyl 1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
CID 45208197

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyethyl)-1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(2-methoxyethyl)-1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylate (CID 25461112) is ethyl 4-(2-methoxyethyl)-1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(2-methoxyethyl)-1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(2-methoxyethyl)-1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylate is CCOC(=O)C1(CCOC)CCN(CC[C@H](C)c2ccc(C)o2)CC1.
What is the InChIKey of ethyl 4-(2-methoxyethyl)-1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylate?
The InChIKey is QTEFBZJUAJRWLT-INIZCTEOSA-N. The full InChI is InChI=1S/C20H33NO4/c1-5-24-19(22)20(11-15-23-4)9-13-21(14-10-20)12-8-16(2)18-7-6-17(3)25-18/h6-7,16H,5,8-15H2,1-4H3/t16-/m0/s1.
What are the key properties of ethyl 4-(2-methoxyethyl)-1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylate?
ethyl 4-(2-methoxyethyl)-1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylate has a molecular weight of 351.49 g/mol, XLogP of 3.76, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyethyl)-1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylate is sourced from PubChem (CID 25461112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).