(3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid

C17H21NO4 — CID 97064118

IUPAC(3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
SMILESCOc1ccccc1C1(C(=O)N2CCC[C@@H](C(=O)O)C2)CC1
InChIInChI=1S/C17H21NO4/c1-22-14-7-3-2-6-13(14)17(8-9-17)16(21)18-10-4-5-12(11-18)15(19)20/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeySHBYZDVELANBGH-GFCCVEGCSA-N
MW303.36 g/mol
LogP2.05
Rot. Bonds4

About (3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid

(3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid (PubChem CID 97064118) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is (3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
PubChem CID97064118
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name(3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
SMILESCOc1ccccc1C1(C(=O)N2CCC[C@@H](C(=O)O)C2)CC1
InChIInChI=1S/C17H21NO4/c1-22-14-7-3-2-6-13(14)17(8-9-17)16(21)18-10-4-5-12(11-18)15(19)20/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeySHBYZDVELANBGH-GFCCVEGCSA-N
XLogP2.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 71915693
[1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 30945052
[1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 110436782
(3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 119174323
[3-[(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 167897093
1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168175
(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257555
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(2-methoxyphenyl)cyclopropyl]methanone;hydrochloride
CID 120816573
1-(4-phenyloxane-4-carbonyl)piperidine-3-carboxylic acid
CID 119128018
1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid
CID 45429307
1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid
CID 65432629
1-(2-hydroxy-3-methoxybenzoyl)piperidine-3-carboxylic acid
CID 24705711

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid (CID 97064118) is (3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid is COc1ccccc1C1(C(=O)N2CCC[C@@H](C(=O)O)C2)CC1.
What is the InChIKey of (3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid?
The InChIKey is SHBYZDVELANBGH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21NO4/c1-22-14-7-3-2-6-13(14)17(8-9-17)16(21)18-10-4-5-12(11-18)15(19)20/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid?
(3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 97064118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).