methyl 5-oxo-5-[(3R)-3-(2-phenylethyl)piperidin-1-yl]pentanoate

C19H27NO3 — CID 42459961

IUPACmethyl 5-oxo-5-[(3R)-3-(2-phenylethyl)piperidin-1-yl]pentanoate
SMILESCOC(=O)CCCC(=O)N1CCC[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C19H27NO3/c1-23-19(22)11-5-10-18(21)20-14-6-9-17(15-20)13-12-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-15H2,1H3/t17-/m0/s1
InChIKeyPVQHVWBETIDLBY-KRWDZBQOSA-N
MW317.43 g/mol
LogP3.20
Rot. Bonds7

About methyl 5-oxo-5-[(3R)-3-(2-phenylethyl)piperidin-1-yl]pentanoate

methyl 5-oxo-5-[(3R)-3-(2-phenylethyl)piperidin-1-yl]pentanoate (PubChem CID 42459961) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is methyl 5-oxo-5-[(3R)-3-(2-phenylethyl)piperidin-1-yl]pentanoate.

Molecular Properties

Compound Namemethyl 5-oxo-5-[(3R)-3-(2-phenylethyl)piperidin-1-yl]pentanoate
PubChem CID42459961
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Namemethyl 5-oxo-5-[(3R)-3-(2-phenylethyl)piperidin-1-yl]pentanoate
SMILESCOC(=O)CCCC(=O)N1CCC[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C19H27NO3/c1-23-19(22)11-5-10-18(21)20-14-6-9-17(15-20)13-12-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-15H2,1H3/t17-/m0/s1
InChIKeyPVQHVWBETIDLBY-KRWDZBQOSA-N
XLogP3.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-oxo-5-[(3S)-3-(2-phenylethyl)piperidin-1-yl]pentanoate
CID 42459965
methyl 5-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-5-oxopentanoate
CID 42508162
methyl 4-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutanoate
CID 42558151
1-[3-(2-chloroethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63396050
1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110416532
1-[3-(phenoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110638413
methyl 5-[(3R)-3-[3-[(3,4-difluorophenyl)methylamino]-3-oxopropyl]piperidin-1-yl]-5-oxopentanoate
CID 42240080
methyl 4-[3-(benzenesulfonylmethyl)piperidin-1-yl]-4-oxobutanoate
CID 110661884
3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241645
1-[(3R)-3-(2-phenylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 26394446
2-benzylsulfanyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62356079
methyl 5-[(3R)-3-[3-(4-methoxy-2-methylanilino)-3-oxopropyl]piperidin-1-yl]-5-oxopentanoate
CID 42558129

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-5-[(3R)-3-(2-phenylethyl)piperidin-1-yl]pentanoate?
The IUPAC name of methyl 5-oxo-5-[(3R)-3-(2-phenylethyl)piperidin-1-yl]pentanoate (CID 42459961) is methyl 5-oxo-5-[(3R)-3-(2-phenylethyl)piperidin-1-yl]pentanoate.
What is the SMILES notation for methyl 5-oxo-5-[(3R)-3-(2-phenylethyl)piperidin-1-yl]pentanoate?
The canonical SMILES for methyl 5-oxo-5-[(3R)-3-(2-phenylethyl)piperidin-1-yl]pentanoate is COC(=O)CCCC(=O)N1CCC[C@@H](CCc2ccccc2)C1.
What is the InChIKey of methyl 5-oxo-5-[(3R)-3-(2-phenylethyl)piperidin-1-yl]pentanoate?
The InChIKey is PVQHVWBETIDLBY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27NO3/c1-23-19(22)11-5-10-18(21)20-14-6-9-17(15-20)13-12-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-15H2,1H3/t17-/m0/s1.
What are the key properties of methyl 5-oxo-5-[(3R)-3-(2-phenylethyl)piperidin-1-yl]pentanoate?
methyl 5-oxo-5-[(3R)-3-(2-phenylethyl)piperidin-1-yl]pentanoate has a molecular weight of 317.43 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-5-[(3R)-3-(2-phenylethyl)piperidin-1-yl]pentanoate is sourced from PubChem (CID 42459961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).