benzyl 4-[(5-acetyl-2-methoxyphenoxy)methyl]piperidine-1-carboxylate

C23H27NO5 — CID 166624647

IUPACbenzyl 4-[(5-acetyl-2-methoxyphenoxy)methyl]piperidine-1-carboxylate
SMILESCOc1ccc(C(C)=O)cc1OCC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C23H27NO5/c1-17(25)20-8-9-21(27-2)22(14-20)28-15-19-10-12-24(13-11-19)23(26)29-16-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15-16H2,1-2H3
InChIKeyPAFDZJZJRLUHEY-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.33
Rot. Bonds7

About benzyl 4-[(5-acetyl-2-methoxyphenoxy)methyl]piperidine-1-carboxylate

benzyl 4-[(5-acetyl-2-methoxyphenoxy)methyl]piperidine-1-carboxylate (PubChem CID 166624647) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is benzyl 4-[(5-acetyl-2-methoxyphenoxy)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(5-acetyl-2-methoxyphenoxy)methyl]piperidine-1-carboxylate
PubChem CID166624647
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Namebenzyl 4-[(5-acetyl-2-methoxyphenoxy)methyl]piperidine-1-carboxylate
SMILESCOc1ccc(C(C)=O)cc1OCC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C23H27NO5/c1-17(25)20-8-9-21(27-2)22(14-20)28-15-19-10-12-24(13-11-19)23(26)29-16-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15-16H2,1-2H3
InChIKeyPAFDZJZJRLUHEY-UHFFFAOYSA-N
XLogP4.33
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 138985853
benzyl 4-[(5-bromo-2-chlorophenoxy)methyl]piperidine-1-carboxylate
CID 166624826
benzyl 4-[bis(3,4-dimethoxyphenyl)-hydroxymethyl]piperidine-1-carboxylate
CID 45104642
2-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]ethyliminoazanide
CID 165383584
benzyl 4,5-dihydroxyazepane-1-carboxylate
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benzyl (5S)-4-hydroxy-5-methoxyazepane-1-carboxylate
CID 118230308
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
benzyl 4-(3-aminosulfanyl-3-oxopropyl)piperidine-1-carboxylate
CID 18969275
benzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate
CID 155904176
benzyl 4-(2-acetylsulfanylethyl)piperidine-1-carboxylate
CID 146241929
benzyl 4-(2-chloroethyl)piperidine-1-carboxylate
CID 71646574

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(5-acetyl-2-methoxyphenoxy)methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(5-acetyl-2-methoxyphenoxy)methyl]piperidine-1-carboxylate (CID 166624647) is benzyl 4-[(5-acetyl-2-methoxyphenoxy)methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(5-acetyl-2-methoxyphenoxy)methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(5-acetyl-2-methoxyphenoxy)methyl]piperidine-1-carboxylate is COc1ccc(C(C)=O)cc1OCC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[(5-acetyl-2-methoxyphenoxy)methyl]piperidine-1-carboxylate?
The InChIKey is PAFDZJZJRLUHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-17(25)20-8-9-21(27-2)22(14-20)28-15-19-10-12-24(13-11-19)23(26)29-16-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15-16H2,1-2H3.
What are the key properties of benzyl 4-[(5-acetyl-2-methoxyphenoxy)methyl]piperidine-1-carboxylate?
benzyl 4-[(5-acetyl-2-methoxyphenoxy)methyl]piperidine-1-carboxylate has a molecular weight of 397.47 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(5-acetyl-2-methoxyphenoxy)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 166624647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).