1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid

C19H18ClNO3 — CID 45433186

IUPAC1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(c1cccc(Cl)c1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C19H18ClNO3/c20-16-8-4-5-14(13-16)17(22)21-11-9-19(10-12-21,18(23)24)15-6-2-1-3-7-15/h1-8,13H,9-12H2,(H,23,24)
InChIKeyBIBNRZZMBUXQNA-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.60
Rot. Bonds3

About 1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid

1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 45433186) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID45433186
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(c1cccc(Cl)c1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C19H18ClNO3/c20-16-8-4-5-14(13-16)17(22)21-11-9-19(10-12-21,18(23)24)15-6-2-1-3-7-15/h1-8,13H,9-12H2,(H,23,24)
InChIKeyBIBNRZZMBUXQNA-UHFFFAOYSA-N
XLogP3.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433248
(3-chlorophenyl)-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 110637923
(3-chlorophenyl)-(4-morpholin-4-yl-4-phenylpiperidin-1-yl)methanone
CID 110409260
1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid
CID 63124878
1-[4-(3,4-dichlorophenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68508237
1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 120512900
1-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 120512840
4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid
CID 45433205
1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433235
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 119703799
1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68513246

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid (CID 45433186) is 1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid is O=C(c1cccc(Cl)c1)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is BIBNRZZMBUXQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c20-16-8-4-5-14(13-16)17(22)21-11-9-19(10-12-21,18(23)24)15-6-2-1-3-7-15/h1-8,13H,9-12H2,(H,23,24).
What are the key properties of 1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid?
1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 343.81 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 45433186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).