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

C17H19Cl2NO3 — CID 122118126

IUPAC1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)C2CC2c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C17H19Cl2NO3/c1-9-2-11(17(22)23)8-20(7-9)16(21)15-6-14(15)10-3-12(18)5-13(19)4-10/h3-5,9,11,14-15H,2,6-8H2,1H3,(H,22,23)
InChIKeyOVSFACJTDDHRPW-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.67
Rot. Bonds3

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

1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122118126) has the molecular formula C17H19Cl2NO3 and a molecular weight of 356.25 g/mol. Its IUPAC name is 1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122118126
Molecular FormulaC17H19Cl2NO3
Molecular Weight356.25 g/mol
Exact Mass355.07
IUPAC Name1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)C2CC2c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C17H19Cl2NO3/c1-9-2-11(17(22)23)8-20(7-9)16(21)15-6-14(15)10-3-12(18)5-13(19)4-10/h3-5,9,11,14-15H,2,6-8H2,1H3,(H,22,23)
InChIKeyOVSFACJTDDHRPW-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
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
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-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113476
(3R)-1-[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-3-methylpiperidin-4-one
CID 124730027
6-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175706
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone
CID 124865626
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(3,5-dichlorophenyl)cyclopropyl]methanone
CID 119635392
[2-(3,5-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395248
1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone
CID 93304641
N-(2-aminoethyl)-1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
CID 119479658
1-[3-chloro-5-(trifluoromethyl)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122117410

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-5-methylpiperidine-3-carboxylic acid (CID 122118126) is 1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)C2CC2c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is OVSFACJTDDHRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO3/c1-9-2-11(17(22)23)8-20(7-9)16(21)15-6-14(15)10-3-12(18)5-13(19)4-10/h3-5,9,11,14-15H,2,6-8H2,1H3,(H,22,23).
What are the key properties of 1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 356.25 g/mol, XLogP of 3.67, 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]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122118126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).