2-[1-[2-methoxy-2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanoic acid

C19H27NO5 — CID 154842613

IUPAC2-[1-[2-methoxy-2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanoic acid
SMILESCOc1cccc(C(OC)C(=O)N2CCCC(C(C)(C)C(=O)O)C2)c1
InChIInChI=1S/C19H27NO5/c1-19(2,18(22)23)14-8-6-10-20(12-14)17(21)16(25-4)13-7-5-9-15(11-13)24-3/h5,7,9,11,14,16H,6,8,10,12H2,1-4H3,(H,22,23)
InChIKeyYWWDANOPUJCTFT-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.73
Rot. Bonds6

About 2-[1-[2-methoxy-2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanoic acid

2-[1-[2-methoxy-2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 154842613) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[1-[2-methoxy-2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-[2-methoxy-2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanoic acid
PubChem CID154842613
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name2-[1-[2-methoxy-2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanoic acid
SMILESCOc1cccc(C(OC)C(=O)N2CCCC(C(C)(C)C(=O)O)C2)c1
InChIInChI=1S/C19H27NO5/c1-19(2,18(22)23)14-8-6-10-20(12-14)17(21)16(25-4)13-7-5-9-15(11-13)24-3/h5,7,9,11,14,16H,6,8,10,12H2,1-4H3,(H,22,23)
InChIKeyYWWDANOPUJCTFT-UHFFFAOYSA-N
XLogP2.73
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525
[(1S)-1-(3-methoxyphenyl)-2,2-dimethylpropyl] (3R)-1-carbamoylpiperidine-3-carboxylate
CID 97005998
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 124677545
(2S)-1-[(3S,4S)-4-tert-butyl-3-hydroxypiperidin-1-yl]-2-methoxy-2-phenylethanone
CID 98856814
2-[1-(3-bromobenzoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198806
1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide
CID 62098751
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
1-(3-hydroxypyrrolidin-1-yl)-2-methoxy-2-phenylethanone
CID 62918304
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 66291678
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 79030711
1-[(3,4-dimethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4272809
(2S)-1-[2-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119366290

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-methoxy-2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-[2-methoxy-2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanoic acid (CID 154842613) is 2-[1-[2-methoxy-2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-[2-methoxy-2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-[2-methoxy-2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanoic acid is COc1cccc(C(OC)C(=O)N2CCCC(C(C)(C)C(=O)O)C2)c1.
What is the InChIKey of 2-[1-[2-methoxy-2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is YWWDANOPUJCTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-19(2,18(22)23)14-8-6-10-20(12-14)17(21)16(25-4)13-7-5-9-15(11-13)24-3/h5,7,9,11,14,16H,6,8,10,12H2,1-4H3,(H,22,23).
What are the key properties of 2-[1-[2-methoxy-2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanoic acid?
2-[1-[2-methoxy-2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 349.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-methoxy-2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 154842613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).