4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid

C21H29NO5 — CID 120674625

IUPAC4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1COC1CCN(C(=O)C2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C21H29NO5/c1-26-19-5-3-2-4-17(19)14-27-18-10-12-22(13-11-18)20(23)15-6-8-16(9-7-15)21(24)25/h2-5,15-16,18H,6-14H2,1H3,(H,24,25)
InChIKeyORYFSINEWPGFOD-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.09
Rot. Bonds6

About 4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid

4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 120674625) has the molecular formula C21H29NO5 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID120674625
Molecular FormulaC21H29NO5
Molecular Weight375.47 g/mol
Exact Mass375.20
IUPAC Name4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1COC1CCN(C(=O)C2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C21H29NO5/c1-26-19-5-3-2-4-17(19)14-27-18-10-12-22(13-11-18)20(23)15-6-8-16(9-7-15)21(24)25/h2-5,15-16,18H,6-14H2,1H3,(H,24,25)
InChIKeyORYFSINEWPGFOD-UHFFFAOYSA-N
XLogP3.09
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672848
3-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]benzoic acid
CID 120551630
[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone
CID 129400331
[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2R,3S)-2-methyloxan-3-yl]methanone
CID 129400330
(4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 84594202
3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one
CID 120873928
N-[(1R)-1-cyclobutylethyl]-4-[(2-methoxyphenyl)methoxy]piperidine-1-carboxamide
CID 97160902
N-(1-cyclobutylethyl)-4-[(2-methoxyphenyl)methoxy]piperidine-1-carboxamide
CID 84593996
4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673250
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone
CID 110799375
1-[(3R)-4-(2-methoxyphenyl)-3-methylbutanoyl]piperidine-4-carboxylic acid
CID 129414877

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 120674625) is 4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is COc1ccccc1COC1CCN(C(=O)C2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is ORYFSINEWPGFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO5/c1-26-19-5-3-2-4-17(19)14-27-18-10-12-22(13-11-18)20(23)15-6-8-16(9-7-15)21(24)25/h2-5,15-16,18H,6-14H2,1H3,(H,24,25).
What are the key properties of 4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 375.47 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).