1-[3-(2,5-dichlorophenyl)-3-oxopropyl]piperidine-4-carboxylic acid

C15H17Cl2NO3 — CID 82073050

IUPAC1-[3-(2,5-dichlorophenyl)-3-oxopropyl]piperidine-4-carboxylic acid
SMILESO=C(CCN1CCC(C(=O)O)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H17Cl2NO3/c16-11-1-2-13(17)12(9-11)14(19)5-8-18-6-3-10(4-7-18)15(20)21/h1-2,9-10H,3-8H2,(H,20,21)
InChIKeyLETNXJZLFMZUJD-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.36
Rot. Bonds5

About 1-[3-(2,5-dichlorophenyl)-3-oxopropyl]piperidine-4-carboxylic acid

1-[3-(2,5-dichlorophenyl)-3-oxopropyl]piperidine-4-carboxylic acid (PubChem CID 82073050) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-[3-(2,5-dichlorophenyl)-3-oxopropyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2,5-dichlorophenyl)-3-oxopropyl]piperidine-4-carboxylic acid
PubChem CID82073050
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Name1-[3-(2,5-dichlorophenyl)-3-oxopropyl]piperidine-4-carboxylic acid
SMILESO=C(CCN1CCC(C(=O)O)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H17Cl2NO3/c16-11-1-2-13(17)12(9-11)14(19)5-8-18-6-3-10(4-7-18)15(20)21/h1-2,9-10H,3-8H2,(H,20,21)
InChIKeyLETNXJZLFMZUJD-UHFFFAOYSA-N
XLogP3.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82050124
1-[3-(5-chloro-2-ethoxyphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82073151
1-(2-chloro-5-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050177
1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82051123
1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone
CID 43227584
2-(azepan-1-yl)-1-(2,5-dichlorophenyl)ethanone
CID 43227244
1-[(2,3,6-trichlorophenyl)methyl]piperidine-4-carboxylic acid
CID 82183313
1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid
CID 24691005
1-[(2,5-dichlorophenyl)methyl]azetidine-3-carboxylic acid
CID 65317178
2-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 66627833
1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908286
1-[3-(4-nitrophenyl)-3-oxopropyl]piperidine-4-carboxylic acid
CID 93213304

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dichlorophenyl)-3-oxopropyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(2,5-dichlorophenyl)-3-oxopropyl]piperidine-4-carboxylic acid (CID 82073050) is 1-[3-(2,5-dichlorophenyl)-3-oxopropyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(2,5-dichlorophenyl)-3-oxopropyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(2,5-dichlorophenyl)-3-oxopropyl]piperidine-4-carboxylic acid is O=C(CCN1CCC(C(=O)O)CC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[3-(2,5-dichlorophenyl)-3-oxopropyl]piperidine-4-carboxylic acid?
The InChIKey is LETNXJZLFMZUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c16-11-1-2-13(17)12(9-11)14(19)5-8-18-6-3-10(4-7-18)15(20)21/h1-2,9-10H,3-8H2,(H,20,21).
What are the key properties of 1-[3-(2,5-dichlorophenyl)-3-oxopropyl]piperidine-4-carboxylic acid?
1-[3-(2,5-dichlorophenyl)-3-oxopropyl]piperidine-4-carboxylic acid has a molecular weight of 330.21 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dichlorophenyl)-3-oxopropyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82073050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).