methyl 5-[(3R)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-5-oxopentanoate

C20H27NO5 — CID 42245196

IUPACmethyl 5-[(3R)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CCC[C@@H](C(=O)c2ccc(OC)cc2C)C1
InChIInChI=1S/C20H27NO5/c1-14-12-16(25-2)9-10-17(14)20(24)15-6-5-11-21(13-15)18(22)7-4-8-19(23)26-3/h9-10,12,15H,4-8,11,13H2,1-3H3/t15-/m1/s1
InChIKeyVEKSJJALYQCZGS-OAHLLOKOSA-N
MW361.44 g/mol
LogP2.77
Rot. Bonds7

About methyl 5-[(3R)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-5-oxopentanoate

methyl 5-[(3R)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-5-oxopentanoate (PubChem CID 42245196) has the molecular formula C20H27NO5 and a molecular weight of 361.44 g/mol. Its IUPAC name is methyl 5-[(3R)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[(3R)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-5-oxopentanoate
PubChem CID42245196
Molecular FormulaC20H27NO5
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC Namemethyl 5-[(3R)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CCC[C@@H](C(=O)c2ccc(OC)cc2C)C1
InChIInChI=1S/C20H27NO5/c1-14-12-16(25-2)9-10-17(14)20(24)15-6-5-11-21(13-15)18(22)7-4-8-19(23)26-3/h9-10,12,15H,4-8,11,13H2,1-3H3/t15-/m1/s1
InChIKeyVEKSJJALYQCZGS-OAHLLOKOSA-N
XLogP2.77
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[3-(4-methoxy-2-methylbenzoyl)piperidine-1-carbonyl]amino]acetate
CID 45172649
methyl 5-[(3R)-3-[3-(4-methoxy-2-methylanilino)-3-oxopropyl]piperidin-1-yl]-5-oxopentanoate
CID 42558129
methyl 5-oxo-5-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]pentanoate
CID 45240231
1-[4-[(3S)-3-(4-methoxy-2-methylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 42458351
(3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid
CID 120684511
1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82073354
methyl 4-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]-4-oxobutanoate
CID 42193338
1-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 97138740
(4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 97143492
methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394724
1-[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 42305900
3-(4-methoxyphenyl)-1-[3-(2-methylsulfanylbenzoyl)piperidin-1-yl]propan-1-one
CID 45167786

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3R)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-5-oxopentanoate?
The IUPAC name of methyl 5-[(3R)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-5-oxopentanoate (CID 42245196) is methyl 5-[(3R)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[(3R)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-5-oxopentanoate?
The canonical SMILES for methyl 5-[(3R)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-5-oxopentanoate is COC(=O)CCCC(=O)N1CCC[C@@H](C(=O)c2ccc(OC)cc2C)C1.
What is the InChIKey of methyl 5-[(3R)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-5-oxopentanoate?
The InChIKey is VEKSJJALYQCZGS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27NO5/c1-14-12-16(25-2)9-10-17(14)20(24)15-6-5-11-21(13-15)18(22)7-4-8-19(23)26-3/h9-10,12,15H,4-8,11,13H2,1-3H3/t15-/m1/s1.
What are the key properties of methyl 5-[(3R)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-5-oxopentanoate?
methyl 5-[(3R)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-5-oxopentanoate has a molecular weight of 361.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3R)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-5-oxopentanoate is sourced from PubChem (CID 42245196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).