benzyl 4-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]piperidine-1-carboxylate

C17H23NO5 — CID 97168111

IUPACbenzyl 4-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]piperidine-1-carboxylate
SMILESCOC(=O)C[C@@H](O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H23NO5/c1-22-16(20)11-15(19)14-7-9-18(10-8-14)17(21)23-12-13-5-3-2-4-6-13/h2-6,14-15,19H,7-12H2,1H3/t15-/m1/s1
InChIKeyMOBAJZSHDPIXRH-OAHLLOKOSA-N
MW321.37 g/mol
LogP1.96
Rot. Bonds5

About benzyl 4-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]piperidine-1-carboxylate

benzyl 4-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]piperidine-1-carboxylate (PubChem CID 97168111) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is benzyl 4-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]piperidine-1-carboxylate
PubChem CID97168111
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Namebenzyl 4-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]piperidine-1-carboxylate
SMILESCOC(=O)C[C@@H](O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H23NO5/c1-22-16(20)11-15(19)14-7-9-18(10-8-14)17(21)23-12-13-5-3-2-4-6-13/h2-6,14-15,19H,7-12H2,1H3/t15-/m1/s1
InChIKeyMOBAJZSHDPIXRH-OAHLLOKOSA-N
XLogP1.96
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 4-(1-hydroxy-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
CID 71648259
benzyl 4-[(1S)-1-(chloroamino)ethyl]piperidine-1-carboxylate
CID 126554184
benzyl 4-(1-aminopropyl)piperidine-1-carboxylate
CID 154815286
benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate
CID 163554835
benzyl 4-(diethoxymethyl)piperidine-1-carboxylate
CID 170639553
benzyl 3-(1-hydroxy-2-phenylmethoxyethyl)pyrrolidine-1-carboxylate
CID 143016187
benzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate
CID 155904176
benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate
CID 3776046
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl (3S)-3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 58834378
benzyl 4-(1-ethoxy-1,4-dioxopentan-2-yl)piperidine-1-carboxylate
CID 67438602
benzyl (3R)-3-[(1S)-1-aminoethyl]pyrrolidine-1-carboxylate
CID 86674568

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]piperidine-1-carboxylate (CID 97168111) is benzyl 4-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]piperidine-1-carboxylate is COC(=O)C[C@@H](O)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]piperidine-1-carboxylate?
The InChIKey is MOBAJZSHDPIXRH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23NO5/c1-22-16(20)11-15(19)14-7-9-18(10-8-14)17(21)23-12-13-5-3-2-4-6-13/h2-6,14-15,19H,7-12H2,1H3/t15-/m1/s1.
What are the key properties of benzyl 4-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]piperidine-1-carboxylate?
benzyl 4-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]piperidine-1-carboxylate has a molecular weight of 321.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]piperidine-1-carboxylate is sourced from PubChem (CID 97168111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).