benzyl (2R,3S)-2-(2-oxopropyl)-3-phenylmethoxycarbonyloxypiperidine-1-carboxylate

C24H27NO6 — CID 71314031

IUPACbenzyl (2R,3S)-2-(2-oxopropyl)-3-phenylmethoxycarbonyloxypiperidine-1-carboxylate
SMILESCC(=O)C[C@@H]1[C@@H](OC(=O)OCc2ccccc2)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C24H27NO6/c1-18(26)15-21-22(31-24(28)30-17-20-11-6-3-7-12-20)13-8-14-25(21)23(27)29-16-19-9-4-2-5-10-19/h2-7,9-12,21-22H,8,13-17H2,1H3/t21-,22+/m1/s1
InChIKeyLFKLNTHVFMHRLV-YADHBBJMSA-N
MW425.48 g/mol
LogP4.49
Rot. Bonds7

About benzyl (2R,3S)-2-(2-oxopropyl)-3-phenylmethoxycarbonyloxypiperidine-1-carboxylate

benzyl (2R,3S)-2-(2-oxopropyl)-3-phenylmethoxycarbonyloxypiperidine-1-carboxylate (PubChem CID 71314031) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is benzyl (2R,3S)-2-(2-oxopropyl)-3-phenylmethoxycarbonyloxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,3S)-2-(2-oxopropyl)-3-phenylmethoxycarbonyloxypiperidine-1-carboxylate
PubChem CID71314031
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC Namebenzyl (2R,3S)-2-(2-oxopropyl)-3-phenylmethoxycarbonyloxypiperidine-1-carboxylate
SMILESCC(=O)C[C@@H]1[C@@H](OC(=O)OCc2ccccc2)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C24H27NO6/c1-18(26)15-21-22(31-24(28)30-17-20-11-6-3-7-12-20)13-8-14-25(21)23(27)29-16-19-9-4-2-5-10-19/h2-7,9-12,21-22H,8,13-17H2,1H3/t21-,22+/m1/s1
InChIKeyLFKLNTHVFMHRLV-YADHBBJMSA-N
XLogP4.49
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Fenbutrazate
CID 20395
1,3-Diphenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-piperidine carboxylate
CID 445644
1,3-Diphenylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 44338317
1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid (R)-1,3-diphenyl-propyl ester
CID 44365490
Benzyl 2-benzyl-3-oxopiperidine-1-carboxylate
CID 23509685
[(1S)-1,3-diphenylpropyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 57322586
(3-cyclohexyl-1-phenylpropyl) (2R)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 44338316
Benzyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate
CID 44338390
1,3-diphenylpropyl (2R)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 44338394
Methyl N-Cbz-piperidine-2-carboxylate
CID 11011289
Benzyl 2-methyl-4-oxopiperidine-1-carboxylate
CID 46941997
methyl (3R,4S)-3-(methoxymethoxy)-4-[methyl(phenylmethoxycarbonyl)amino]-5-phenylpentanoate
CID 44285975

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3S)-2-(2-oxopropyl)-3-phenylmethoxycarbonyloxypiperidine-1-carboxylate?
The IUPAC name of benzyl (2R,3S)-2-(2-oxopropyl)-3-phenylmethoxycarbonyloxypiperidine-1-carboxylate (CID 71314031) is benzyl (2R,3S)-2-(2-oxopropyl)-3-phenylmethoxycarbonyloxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,3S)-2-(2-oxopropyl)-3-phenylmethoxycarbonyloxypiperidine-1-carboxylate?
The canonical SMILES for benzyl (2R,3S)-2-(2-oxopropyl)-3-phenylmethoxycarbonyloxypiperidine-1-carboxylate is CC(=O)C[C@@H]1[C@@H](OC(=O)OCc2ccccc2)CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,3S)-2-(2-oxopropyl)-3-phenylmethoxycarbonyloxypiperidine-1-carboxylate?
The InChIKey is LFKLNTHVFMHRLV-YADHBBJMSA-N. The full InChI is InChI=1S/C24H27NO6/c1-18(26)15-21-22(31-24(28)30-17-20-11-6-3-7-12-20)13-8-14-25(21)23(27)29-16-19-9-4-2-5-10-19/h2-7,9-12,21-22H,8,13-17H2,1H3/t21-,22+/m1/s1.
What are the key properties of benzyl (2R,3S)-2-(2-oxopropyl)-3-phenylmethoxycarbonyloxypiperidine-1-carboxylate?
benzyl (2R,3S)-2-(2-oxopropyl)-3-phenylmethoxycarbonyloxypiperidine-1-carboxylate has a molecular weight of 425.48 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3S)-2-(2-oxopropyl)-3-phenylmethoxycarbonyloxypiperidine-1-carboxylate is sourced from PubChem (CID 71314031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).