1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid

C20H20ClNO4 — CID 120512900

IUPAC1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCOc1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C20H20ClNO4/c1-26-17-13-14(7-8-16(17)21)18(23)22-11-9-20(10-12-22,19(24)25)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,24,25)
InChIKeyOIQXKXSWELASPZ-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.61
Rot. Bonds4

About 1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid

1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 120512900) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID120512900
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Name1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCOc1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C20H20ClNO4/c1-26-17-13-14(7-8-16(17)21)18(23)22-11-9-20(10-12-22,19(24)25)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,24,25)
InChIKeyOIQXKXSWELASPZ-UHFFFAOYSA-N
XLogP3.61
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,4-dichlorophenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68508237
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433186
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433248
4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid
CID 45433205
1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 120512802
1-(2,3-dimethoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433253
1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68513246
1-(2-methoxy-5-nitrobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45338263
1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433235
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid (CID 120512900) is 1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid is COc1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is OIQXKXSWELASPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO4/c1-26-17-13-14(7-8-16(17)21)18(23)22-11-9-20(10-12-22,19(24)25)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,24,25).
What are the key properties of 1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid?
1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 373.84 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 120512900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).