1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid

C19H17Cl2NO3 — CID 45433248

IUPAC1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C19H17Cl2NO3/c20-14-6-7-16(21)15(12-14)17(23)22-10-8-19(9-11-22,18(24)25)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,24,25)
InChIKeyBBNGLKBTVUNKFC-UHFFFAOYSA-N
MW378.25 g/mol
LogP4.25
Rot. Bonds3

About 1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid

1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 45433248) has the molecular formula C19H17Cl2NO3 and a molecular weight of 378.25 g/mol. Its IUPAC name is 1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID45433248
Molecular FormulaC19H17Cl2NO3
Molecular Weight378.25 g/mol
Exact Mass377.06
IUPAC Name1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C19H17Cl2NO3/c20-14-6-7-16(21)15(12-14)17(23)22-10-8-19(9-11-22,18(24)25)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,24,25)
InChIKeyBBNGLKBTVUNKFC-UHFFFAOYSA-N
XLogP4.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433186
1-[4-(3,4-dichlorophenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68508237
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 120512900
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
(2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565621
1-(2-methylsulfanylbenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433466
1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251616
[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 17449620
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108536545
[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]-(2-sulfanylphenyl)methanone
CID 108547390
4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid
CID 45433205

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid (CID 45433248) is 1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid is O=C(c1cc(Cl)ccc1Cl)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is BBNGLKBTVUNKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO3/c20-14-6-7-16(21)15(12-14)17(23)22-10-8-19(9-11-22,18(24)25)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,24,25).
What are the key properties of 1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid?
1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 378.25 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 45433248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).