[2-methoxy-4-[(2-oxooxolan-3-yl)methyl]phenyl] piperidine-1-carboxylate

C18H23NO5 — CID 144528687

IUPAC[2-methoxy-4-[(2-oxooxolan-3-yl)methyl]phenyl] piperidine-1-carboxylate
SMILESCOc1cc(CC2CCOC2=O)ccc1OC(=O)N1CCCCC1
InChIInChI=1S/C18H23NO5/c1-22-16-12-13(11-14-7-10-23-17(14)20)5-6-15(16)24-18(21)19-8-3-2-4-9-19/h5-6,12,14H,2-4,7-11H2,1H3
InChIKeyUHSRDILHUFLRLL-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.79
Rot. Bonds4

About [2-methoxy-4-[(2-oxooxolan-3-yl)methyl]phenyl] piperidine-1-carboxylate

[2-methoxy-4-[(2-oxooxolan-3-yl)methyl]phenyl] piperidine-1-carboxylate (PubChem CID 144528687) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is [2-methoxy-4-[(2-oxooxolan-3-yl)methyl]phenyl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[2-methoxy-4-[(2-oxooxolan-3-yl)methyl]phenyl] piperidine-1-carboxylate
PubChem CID144528687
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name[2-methoxy-4-[(2-oxooxolan-3-yl)methyl]phenyl] piperidine-1-carboxylate
SMILESCOc1cc(CC2CCOC2=O)ccc1OC(=O)N1CCCCC1
InChIInChI=1S/C18H23NO5/c1-22-16-12-13(11-14-7-10-23-17(14)20)5-6-15(16)24-18(21)19-8-3-2-4-9-19/h5-6,12,14H,2-4,7-11H2,1H3
InChIKeyUHSRDILHUFLRLL-UHFFFAOYSA-N
XLogP2.79
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-methoxy-4-[(2-oxooxolan-3-yl)methyl]phenyl] pyrrolidine-1-carboxylate
CID 123511137
[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]methyl]phenyl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate
CID 144528685
[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-methoxyphenyl] (3R)-3-aminopyrrolidine-1-carboxylate
CID 71512726
[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-methoxyphenyl] 3,3-dimethylbutanoate
CID 71714075
[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 71714216
[4-[[4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-methoxyphenyl] 4-(4-methylpiperazin-1-yl)benzoate
CID 15981066
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 3409928
[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 756481
3-[(2-methoxyphenyl)methyl]oxolan-2-one
CID 12025278
[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-methoxyphenyl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate
CID 71512507
(3S,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
CID 10993417

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(2-oxooxolan-3-yl)methyl]phenyl] piperidine-1-carboxylate?
The IUPAC name of [2-methoxy-4-[(2-oxooxolan-3-yl)methyl]phenyl] piperidine-1-carboxylate (CID 144528687) is [2-methoxy-4-[(2-oxooxolan-3-yl)methyl]phenyl] piperidine-1-carboxylate.
What is the SMILES notation for [2-methoxy-4-[(2-oxooxolan-3-yl)methyl]phenyl] piperidine-1-carboxylate?
The canonical SMILES for [2-methoxy-4-[(2-oxooxolan-3-yl)methyl]phenyl] piperidine-1-carboxylate is COc1cc(CC2CCOC2=O)ccc1OC(=O)N1CCCCC1.
What is the InChIKey of [2-methoxy-4-[(2-oxooxolan-3-yl)methyl]phenyl] piperidine-1-carboxylate?
The InChIKey is UHSRDILHUFLRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-22-16-12-13(11-14-7-10-23-17(14)20)5-6-15(16)24-18(21)19-8-3-2-4-9-19/h5-6,12,14H,2-4,7-11H2,1H3.
What are the key properties of [2-methoxy-4-[(2-oxooxolan-3-yl)methyl]phenyl] piperidine-1-carboxylate?
[2-methoxy-4-[(2-oxooxolan-3-yl)methyl]phenyl] piperidine-1-carboxylate has a molecular weight of 333.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(2-oxooxolan-3-yl)methyl]phenyl] piperidine-1-carboxylate is sourced from PubChem (CID 144528687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).