1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid

C21H32N2O4 — CID 96575394

IUPAC1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
SMILESCCN1CCC[C@@H](CN2CCC(Oc3ccccc3OC)(C(=O)O)CC2)C1
InChIInChI=1S/C21H32N2O4/c1-3-22-12-6-7-17(15-22)16-23-13-10-21(11-14-23,20(24)25)27-19-9-5-4-8-18(19)26-2/h4-5,8-9,17H,3,6-7,10-16H2,1-2H3,(H,24,25)/t17-/m1/s1
InChIKeyFHJJLUKHUOPFEI-QGZVFWFLSA-N
MW376.50 g/mol
LogP2.73
Rot. Bonds7

About 1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid

1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid (PubChem CID 96575394) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
PubChem CID96575394
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
SMILESCCN1CCC[C@@H](CN2CCC(Oc3ccccc3OC)(C(=O)O)CC2)C1
InChIInChI=1S/C21H32N2O4/c1-3-22-12-6-7-17(15-22)16-23-13-10-21(11-14-23,20(24)25)27-19-9-5-4-8-18(19)26-2/h4-5,8-9,17H,3,6-7,10-16H2,1-2H3,(H,24,25)/t17-/m1/s1
InChIKeyFHJJLUKHUOPFEI-QGZVFWFLSA-N
XLogP2.73
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid with MolForge

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Related Compounds

1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid
CID 82129517
1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 96576694
1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 70776089
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid
CID 95896346
1'-[(1-ethylpiperidin-3-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70758496
1-[(2-amino-3-pyridinyl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 70757151
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 126431258
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625
3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 75514876
1-[(4-aminocyclohexyl)methyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid
CID 56883083
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 43186953
1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 70755771

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid?
The IUPAC name of 1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid (CID 96575394) is 1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid is CCN1CCC[C@@H](CN2CCC(Oc3ccccc3OC)(C(=O)O)CC2)C1.
What is the InChIKey of 1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid?
The InChIKey is FHJJLUKHUOPFEI-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-3-22-12-6-7-17(15-22)16-23-13-10-21(11-14-23,20(24)25)27-19-9-5-4-8-18(19)26-2/h4-5,8-9,17H,3,6-7,10-16H2,1-2H3,(H,24,25)/t17-/m1/s1.
What are the key properties of 1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid?
1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid has a molecular weight of 376.50 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid is sourced from PubChem (CID 96575394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).