1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-5-methylpiperidine-3-carboxylic acid

C19H25NO5 — CID 122119325

IUPAC1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-5-methylpiperidine-3-carboxylic acid
SMILESC/C=C/c1ccc(OCC(=O)N2CC(C)CC(C(=O)O)C2)c(OC)c1
InChIInChI=1S/C19H25NO5/c1-4-5-14-6-7-16(17(9-14)24-3)25-12-18(21)20-10-13(2)8-15(11-20)19(22)23/h4-7,9,13,15H,8,10-12H2,1-3H3,(H,22,23)/b5-4+
InChIKeyRTHOMBIZWKDYTI-SNAWJCMRSA-N
MW347.41 g/mol
LogP2.68
Rot. Bonds6

About 1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-5-methylpiperidine-3-carboxylic acid

1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122119325) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122119325
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-5-methylpiperidine-3-carboxylic acid
SMILESC/C=C/c1ccc(OCC(=O)N2CC(C)CC(C(=O)O)C2)c(OC)c1
InChIInChI=1S/C19H25NO5/c1-4-5-14-6-7-16(17(9-14)24-3)25-12-18(21)20-10-13(2)8-15(11-20)19(22)23/h4-7,9,13,15H,8,10-12H2,1-3H3,(H,22,23)/b5-4+
InChIKeyRTHOMBIZWKDYTI-SNAWJCMRSA-N
XLogP2.68
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-5-methylpiperidine-3-carboxylic acid with MolForge

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Related Compounds

2-(2-methoxy-4-prop-1-enylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone
CID 126785977
1-[2-(4-methoxy-3-methylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117682
2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 97430729
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119490153
1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-N,N-dimethylpiperidine-4-carboxamide
CID 86975363
1-[2-(2-ethoxyphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119451
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanone;hydrochloride
CID 120742688
ethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate
CID 36860916
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanone
CID 2471343
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8879874
2-(2-methoxy-4-prop-1-enylphenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 126795143
1-[2-(2,5-dichlorophenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119009

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-5-methylpiperidine-3-carboxylic acid (CID 122119325) is 1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-5-methylpiperidine-3-carboxylic acid is C/C=C/c1ccc(OCC(=O)N2CC(C)CC(C(=O)O)C2)c(OC)c1.
What is the InChIKey of 1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is RTHOMBIZWKDYTI-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H25NO5/c1-4-5-14-6-7-16(17(9-14)24-3)25-12-18(21)20-10-13(2)8-15(11-20)19(22)23/h4-7,9,13,15H,8,10-12H2,1-3H3,(H,22,23)/b5-4+.
What are the key properties of 1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 347.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122119325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).