[(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] piperidine-1-carboxylate

C25H31NO5 — CID 141152240

IUPAC[(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] piperidine-1-carboxylate
SMILESCOC(=O)[C@@H](Cc1cc(C)c(OCc2ccccc2)c(C)c1)OC(=O)N1CCCCC1
InChIInChI=1S/C25H31NO5/c1-18-14-21(15-19(2)23(18)30-17-20-10-6-4-7-11-20)16-22(24(27)29-3)31-25(28)26-12-8-5-9-13-26/h4,6-7,10-11,14-15,22H,5,8-9,12-13,16-17H2,1-3H3/t22-/m1/s1
InChIKeyYKRDUQMAUMBQCU-JOCHJYFZSA-N
MW425.53 g/mol
LogP4.59
Rot. Bonds7

About [(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] piperidine-1-carboxylate

[(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] piperidine-1-carboxylate (PubChem CID 141152240) has the molecular formula C25H31NO5 and a molecular weight of 425.53 g/mol. Its IUPAC name is [(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] piperidine-1-carboxylate
PubChem CID141152240
Molecular FormulaC25H31NO5
Molecular Weight425.53 g/mol
Exact Mass425.22
IUPAC Name[(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] piperidine-1-carboxylate
SMILESCOC(=O)[C@@H](Cc1cc(C)c(OCc2ccccc2)c(C)c1)OC(=O)N1CCCCC1
InChIInChI=1S/C25H31NO5/c1-18-14-21(15-19(2)23(18)30-17-20-10-6-4-7-11-20)16-22(24(27)29-3)31-25(28)26-12-8-5-9-13-26/h4,6-7,10-11,14-15,22H,5,8-9,12-13,16-17H2,1-3H3/t22-/m1/s1
InChIKeyYKRDUQMAUMBQCU-JOCHJYFZSA-N
XLogP4.59
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] piperidine-1-carboxylate with MolForge

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Related Compounds

[(2R)-3-(3-ethyl-5-methyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate
CID 67273339
benzyl piperidine-1-carboxylate
CID 158057698
(1-methoxy-2-phenylethyl) pyrrolidine-1-carboxylate
CID 151786501
ethyl 1-[(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]oxypropanoyl]-4-(4-ethoxycarbonylpiperidin-1-ium-1-yl)piperidine-4-carboxylate
CID 173058361
[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-(2-methylpropanoyl)diazinane-1-carboxylate
CID 18638949
(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425
[(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-[4-(4-ethoxycarbonyloxypiperidin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate
CID 69336548
[(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-[4-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate
CID 67274143
[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-1-methoxy-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate
CID 68676750
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
CID 110347349
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100714152

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] piperidine-1-carboxylate?
The IUPAC name of [(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] piperidine-1-carboxylate (CID 141152240) is [(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] piperidine-1-carboxylate.
What is the SMILES notation for [(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] piperidine-1-carboxylate?
The canonical SMILES for [(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] piperidine-1-carboxylate is COC(=O)[C@@H](Cc1cc(C)c(OCc2ccccc2)c(C)c1)OC(=O)N1CCCCC1.
What is the InChIKey of [(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] piperidine-1-carboxylate?
The InChIKey is YKRDUQMAUMBQCU-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H31NO5/c1-18-14-21(15-19(2)23(18)30-17-20-10-6-4-7-11-20)16-22(24(27)29-3)31-25(28)26-12-8-5-9-13-26/h4,6-7,10-11,14-15,22H,5,8-9,12-13,16-17H2,1-3H3/t22-/m1/s1.
What are the key properties of [(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] piperidine-1-carboxylate?
[(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] piperidine-1-carboxylate has a molecular weight of 425.53 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] piperidine-1-carboxylate is sourced from PubChem (CID 141152240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).