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

C17H21NO3 — CID 84588684

IUPAC1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
SMILESCc1ccccc1C1CC1C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C17H21NO3/c1-11-5-2-3-7-13(11)14-9-15(14)16(19)18-8-4-6-12(10-18)17(20)21/h2-3,5,7,12,14-15H,4,6,8-10H2,1H3,(H,20,21)
InChIKeyMEGIXCJSFSFWGV-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.42
Rot. Bonds3

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

1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid (PubChem CID 84588684) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
PubChem CID84588684
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
SMILESCc1ccccc1C1CC1C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C17H21NO3/c1-11-5-2-3-7-13(11)14-9-15(14)16(19)18-8-4-6-12(10-18)17(20)21/h2-3,5,7,12,14-15H,4,6,8-10H2,1H3,(H,20,21)
InChIKeyMEGIXCJSFSFWGV-UHFFFAOYSA-N
XLogP2.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1-[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 100857908
3-[(3S)-1-[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]piperidin-3-yl]propanoic acid
CID 99851800
[2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 71930075
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone;hydrochloride
CID 119412430
1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide
CID 119137675
1,4-diazepan-1-yl-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119417577
(3R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 125132949
[(1R,2R)-2-(2-methylphenyl)cyclopropyl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124697762
1-[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 119167741
2-[3-(2-methylphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975828
(3R)-1-[(1S,2S)-2-(3-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 125148642
trans-(1R,2R)-2-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129467421

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid (CID 84588684) is 1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid is Cc1ccccc1C1CC1C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid?
The InChIKey is MEGIXCJSFSFWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-5-2-3-7-13(11)14-9-15(14)16(19)18-8-4-6-12(10-18)17(20)21/h2-3,5,7,12,14-15H,4,6,8-10H2,1H3,(H,20,21).
What are the key properties of 1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid?
1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 84588684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).