3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxylic acid

C17H25NO4 — CID 66862259

IUPAC3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxylic acid
SMILESCOCCCO[C@@H](c1ccccc1)C1CCCN(C(=O)O)C1
InChIInChI=1S/C17H25NO4/c1-21-11-6-12-22-16(14-7-3-2-4-8-14)15-9-5-10-18(13-15)17(19)20/h2-4,7-8,15-16H,5-6,9-13H2,1H3,(H,19,20)/t15?,16-/m0/s1
InChIKeyYZBRPVVRZABLTK-LYKKTTPLSA-N
MW307.39 g/mol
LogP3.17
Rot. Bonds7

About 3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxylic acid

3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxylic acid (PubChem CID 66862259) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxylic acid
PubChem CID66862259
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxylic acid
SMILESCOCCCO[C@@H](c1ccccc1)C1CCCN(C(=O)O)C1
InChIInChI=1S/C17H25NO4/c1-21-11-6-12-22-16(14-7-3-2-4-8-14)15-9-5-10-18(13-15)17(19)20/h2-4,7-8,15-16H,5-6,9-13H2,1H3,(H,19,20)/t15?,16-/m0/s1
InChIKeyYZBRPVVRZABLTK-LYKKTTPLSA-N
XLogP3.17
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidine-1-carbonyl chloride
CID 87303059
N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxamide
CID 143215087
(3R)-N-[1-cyclohexyl-3-(propylamino)propan-2-yl]-3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxamide
CID 67194545
3-amino-4-cyclohexyl-1-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]butan-2-one
CID 68721259
2-[3-[(R)-2-methoxyethoxy(phenyl)methyl]pyrrolidin-1-yl]-2-oxoacetamide
CID 66862558
methyl N-[2-[(R)-[(3R)-1-(methylcarbamoyl)piperidin-3-yl]-phenylmethoxy]ethyl]carbamate
CID 70315941
(2S)-3-cyclohexyl-2-N-[(E)-1-[(3R)-3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]-2-nitroethenyl]propane-1,2-diamine
CID 69470940
3-cyclohexyl-2-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]propan-1-amine
CID 123870665
(3R)-N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-3-[3-ethoxypropoxy(phenyl)methyl]piperidine-1-carboxamide
CID 67193802
tert-butyl 3-[2-methylsulfonyloxyethoxy(phenyl)methyl]piperidine-1-carboxylate
CID 58011497
3-[[(2S)-1-amino-3-cyclohexylpropan-2-yl]-methylamino]-4-[(3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]cyclobut-3-ene-1,2-dione
CID 87304087
(3R)-3-[(R)-2-azidoethoxy-(3-chlorophenyl)methyl]piperidine-1-carboxylic acid
CID 141201727

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxylic acid (CID 66862259) is 3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxylic acid is COCCCO[C@@H](c1ccccc1)C1CCCN(C(=O)O)C1.
What is the InChIKey of 3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxylic acid?
The InChIKey is YZBRPVVRZABLTK-LYKKTTPLSA-N. The full InChI is InChI=1S/C17H25NO4/c1-21-11-6-12-22-16(14-7-3-2-4-8-14)15-9-5-10-18(13-15)17(19)20/h2-4,7-8,15-16H,5-6,9-13H2,1H3,(H,19,20)/t15?,16-/m0/s1.
What are the key properties of 3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxylic acid?
3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 66862259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).