1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid

C17H19Cl2NO3 — CID 122113476

IUPAC1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)C1CC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H19Cl2NO3/c1-9-2-3-10(17(22)23)8-20(9)16(21)15-7-14(15)11-4-12(18)6-13(19)5-11/h4-6,9-10,14-15H,2-3,7-8H2,1H3,(H,22,23)
InChIKeyPAMPIOYRXXQEBV-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.81
Rot. Bonds3

About 1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid

1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid (PubChem CID 122113476) has the molecular formula C17H19Cl2NO3 and a molecular weight of 356.25 g/mol. Its IUPAC name is 1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid
PubChem CID122113476
Molecular FormulaC17H19Cl2NO3
Molecular Weight356.25 g/mol
Exact Mass355.07
IUPAC Name1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)C1CC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H19Cl2NO3/c1-9-2-3-10(17(22)23)8-20(9)16(21)15-7-14(15)11-4-12(18)6-13(19)5-11/h4-6,9-10,14-15H,2-3,7-8H2,1H3,(H,22,23)
InChIKeyPAMPIOYRXXQEBV-UHFFFAOYSA-N
XLogP3.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 125134395
1-[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113479
1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118126
1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-2-carboxamide
CID 75373592
[2-(3,5-dichlorophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methanone
CID 167935649
4-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 119217087
[2-(1-aminoethyl)piperidin-1-yl]-[2-(3,5-dichlorophenyl)cyclopropyl]methanone;hydrochloride
CID 119434819
(3R)-1-[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-3-methylpiperidin-4-one
CID 124730027
1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone
CID 93304641
4-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 119240168
(2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125120523
1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112919

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid (CID 122113476) is 1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)C1CC1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid?
The InChIKey is PAMPIOYRXXQEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO3/c1-9-2-3-10(17(22)23)8-20(9)16(21)15-7-14(15)11-4-12(18)6-13(19)5-11/h4-6,9-10,14-15H,2-3,7-8H2,1H3,(H,22,23).
What are the key properties of 1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid?
1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid has a molecular weight of 356.25 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122113476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).