1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid

C16H22N2O3 — CID 63133492

IUPAC1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCN(C)c1ccc(C(=O)N2CCCC(C)(C(=O)O)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-16(15(20)21)9-4-10-18(11-16)14(19)12-5-7-13(8-6-12)17(2)3/h5-8H,4,9-11H2,1-3H3,(H,20,21)
InChIKeyRZOWFXASBSCXMI-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.08
Rot. Bonds3

About 1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid

1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63133492) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63133492
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCN(C)c1ccc(C(=O)N2CCCC(C)(C(=O)O)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-16(15(20)21)9-4-10-18(11-16)14(19)12-5-7-13(8-6-12)17(2)3/h5-8H,4,9-11H2,1-3H3,(H,20,21)
InChIKeyRZOWFXASBSCXMI-UHFFFAOYSA-N
XLogP2.08
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55166833
1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55167027
1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63134102
1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133574
1-(4-aminobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144123
1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 115867016
1-(3-amino-4-bromobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 107813100
3-methyl-1-(3,4,5-trifluorobenzoyl)piperidine-3-carboxylic acid
CID 63187130
[4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80718582
1-(3-bromobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133748
1-(4-ethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55164202
1-(4-cyclobutylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 120688199

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid (CID 63133492) is 1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid is CN(C)c1ccc(C(=O)N2CCCC(C)(C(=O)O)C2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is RZOWFXASBSCXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(15(20)21)9-4-10-18(11-16)14(19)12-5-7-13(8-6-12)17(2)3/h5-8H,4,9-11H2,1-3H3,(H,20,21).
What are the key properties of 1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid?
1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63133492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).