tert-butyl 4-[[3-(3-methoxy-3-oxopropyl)phenoxy]methyl]piperidine-1-carboxylate;cyclopropane

C24H37NO5 — CID 144899236

IUPACtert-butyl 4-[[3-(3-methoxy-3-oxopropyl)phenoxy]methyl]piperidine-1-carboxylate;cyclopropane
SMILESC1CC1.COC(=O)CCc1cccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C21H31NO5.C3H6/c1-21(2,3)27-20(24)22-12-10-17(11-13-22)15-26-18-7-5-6-16(14-18)8-9-19(23)25-4;1-2-3-1/h5-7,14,17H,8-13,15H2,1-4H3;1-3H2
InChIKeyXGXUGFKOZRJMFS-UHFFFAOYSA-N
MW419.56 g/mol
LogP4.99
Rot. Bonds6

About tert-butyl 4-[[3-(3-methoxy-3-oxopropyl)phenoxy]methyl]piperidine-1-carboxylate;cyclopropane

tert-butyl 4-[[3-(3-methoxy-3-oxopropyl)phenoxy]methyl]piperidine-1-carboxylate;cyclopropane (PubChem CID 144899236) has the molecular formula C24H37NO5 and a molecular weight of 419.56 g/mol. Its IUPAC name is tert-butyl 4-[[3-(3-methoxy-3-oxopropyl)phenoxy]methyl]piperidine-1-carboxylate;cyclopropane.

Molecular Properties

Compound Nametert-butyl 4-[[3-(3-methoxy-3-oxopropyl)phenoxy]methyl]piperidine-1-carboxylate;cyclopropane
PubChem CID144899236
Molecular FormulaC24H37NO5
Molecular Weight419.56 g/mol
Exact Mass419.27
IUPAC Nametert-butyl 4-[[3-(3-methoxy-3-oxopropyl)phenoxy]methyl]piperidine-1-carboxylate;cyclopropane
SMILESC1CC1.COC(=O)CCc1cccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C21H31NO5.C3H6/c1-21(2,3)27-20(24)22-12-10-17(11-13-22)15-26-18-7-5-6-16(14-18)8-9-19(23)25-4;1-2-3-1/h5-7,14,17H,8-13,15H2,1-4H3;1-3H2
InChIKeyXGXUGFKOZRJMFS-UHFFFAOYSA-N
XLogP4.99
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.56
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[[3-(3-methoxy-3-oxopropyl)phenoxy]methyl]piperidine-1-carboxylate;cyclopropane with MolForge

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Related Compounds

tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 59526855
tert-butyl 3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 19423970
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid
CID 134579774
tert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate
CID 96515811
2-methoxy-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]benzoic acid
CID 22914678
3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]benzoic acid
CID 57421826
tert-butyl 4-[[2-(3-ethylphenyl)pyrimidin-5-yl]oxymethyl]piperidine-1-carboxylate
CID 161495290
methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638931
tert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate
CID 129294526
tert-butyl 4-[[2-fluoro-4-(2-methoxy-2-oxoethyl)phenoxy]methyl]piperidine-1-carboxylate
CID 130475928
2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]benzoic acid
CID 175684084
tert-butyl 4-[(4-amino-3-fluorophenoxy)methyl]piperidine-1-carboxylate
CID 164576765

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[3-(3-methoxy-3-oxopropyl)phenoxy]methyl]piperidine-1-carboxylate;cyclopropane?
The IUPAC name of tert-butyl 4-[[3-(3-methoxy-3-oxopropyl)phenoxy]methyl]piperidine-1-carboxylate;cyclopropane (CID 144899236) is tert-butyl 4-[[3-(3-methoxy-3-oxopropyl)phenoxy]methyl]piperidine-1-carboxylate;cyclopropane.
What is the SMILES notation for tert-butyl 4-[[3-(3-methoxy-3-oxopropyl)phenoxy]methyl]piperidine-1-carboxylate;cyclopropane?
The canonical SMILES for tert-butyl 4-[[3-(3-methoxy-3-oxopropyl)phenoxy]methyl]piperidine-1-carboxylate;cyclopropane is C1CC1.COC(=O)CCc1cccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-[[3-(3-methoxy-3-oxopropyl)phenoxy]methyl]piperidine-1-carboxylate;cyclopropane?
The InChIKey is XGXUGFKOZRJMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO5.C3H6/c1-21(2,3)27-20(24)22-12-10-17(11-13-22)15-26-18-7-5-6-16(14-18)8-9-19(23)25-4;1-2-3-1/h5-7,14,17H,8-13,15H2,1-4H3;1-3H2.
What are the key properties of tert-butyl 4-[[3-(3-methoxy-3-oxopropyl)phenoxy]methyl]piperidine-1-carboxylate;cyclopropane?
tert-butyl 4-[[3-(3-methoxy-3-oxopropyl)phenoxy]methyl]piperidine-1-carboxylate;cyclopropane has a molecular weight of 419.56 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[3-(3-methoxy-3-oxopropyl)phenoxy]methyl]piperidine-1-carboxylate;cyclopropane is sourced from PubChem (CID 144899236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).