1-(4-methoxy-3-piperidin-3-yloxyphenyl)cyclopropane-1-carboxylic acid

C16H21NO4 — CID 117470566

IUPAC1-(4-methoxy-3-piperidin-3-yloxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C2(C(=O)O)CC2)cc1OC1CCCNC1
InChIInChI=1S/C16H21NO4/c1-20-13-5-4-11(16(6-7-16)15(18)19)9-14(13)21-12-3-2-8-17-10-12/h4-5,9,12,17H,2-3,6-8,10H2,1H3,(H,18,19)
InChIKeyOTFMYTCYBICATR-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.94
Rot. Bonds5

About 1-(4-methoxy-3-piperidin-3-yloxyphenyl)cyclopropane-1-carboxylic acid

1-(4-methoxy-3-piperidin-3-yloxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117470566) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(4-methoxy-3-piperidin-3-yloxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxy-3-piperidin-3-yloxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID117470566
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-(4-methoxy-3-piperidin-3-yloxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C2(C(=O)O)CC2)cc1OC1CCCNC1
InChIInChI=1S/C16H21NO4/c1-20-13-5-4-11(16(6-7-16)15(18)19)9-14(13)21-12-3-2-8-17-10-12/h4-5,9,12,17H,2-3,6-8,10H2,1H3,(H,18,19)
InChIKeyOTFMYTCYBICATR-UHFFFAOYSA-N
XLogP1.94
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 19976886
1-[4-methoxy-3-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117450144
1-(4-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117410191
1-[4-methoxy-3-(thietan-3-yloxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493405
1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid
CID 117490723
1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493404
2-(4-methoxy-3-piperidin-3-yloxyphenyl)ethanol
CID 115005664
1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid
CID 117495952
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133
1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid
CID 116988322
3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine
CID 117489948
1-(4-cyclopropyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117405083

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-piperidin-3-yloxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-methoxy-3-piperidin-3-yloxyphenyl)cyclopropane-1-carboxylic acid (CID 117470566) is 1-(4-methoxy-3-piperidin-3-yloxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-methoxy-3-piperidin-3-yloxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-methoxy-3-piperidin-3-yloxyphenyl)cyclopropane-1-carboxylic acid is COc1ccc(C2(C(=O)O)CC2)cc1OC1CCCNC1.
What is the InChIKey of 1-(4-methoxy-3-piperidin-3-yloxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is OTFMYTCYBICATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-20-13-5-4-11(16(6-7-16)15(18)19)9-14(13)21-12-3-2-8-17-10-12/h4-5,9,12,17H,2-3,6-8,10H2,1H3,(H,18,19).
What are the key properties of 1-(4-methoxy-3-piperidin-3-yloxyphenyl)cyclopropane-1-carboxylic acid?
1-(4-methoxy-3-piperidin-3-yloxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-piperidin-3-yloxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117470566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).