1-(4-cyanobenzoyl)-4-(dimethylamino)piperidine-2-carboxylic acid

C16H19N3O3 — CID 134078784

IUPAC1-(4-cyanobenzoyl)-4-(dimethylamino)piperidine-2-carboxylic acid
SMILESCN(C)C1CCN(C(=O)c2ccc(C#N)cc2)C(C(=O)O)C1
InChIInChI=1S/C16H19N3O3/c1-18(2)13-7-8-19(14(9-13)16(21)22)15(20)12-5-3-11(10-17)4-6-12/h3-6,13-14H,7-9H2,1-2H3,(H,21,22)
InChIKeyYHSRSIIWWPAMLZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.18
Rot. Bonds3

About 1-(4-cyanobenzoyl)-4-(dimethylamino)piperidine-2-carboxylic acid

1-(4-cyanobenzoyl)-4-(dimethylamino)piperidine-2-carboxylic acid (PubChem CID 134078784) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(4-cyanobenzoyl)-4-(dimethylamino)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyanobenzoyl)-4-(dimethylamino)piperidine-2-carboxylic acid
PubChem CID134078784
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-(4-cyanobenzoyl)-4-(dimethylamino)piperidine-2-carboxylic acid
SMILESCN(C)C1CCN(C(=O)c2ccc(C#N)cc2)C(C(=O)O)C1
InChIInChI=1S/C16H19N3O3/c1-18(2)13-7-8-19(14(9-13)16(21)22)15(20)12-5-3-11(10-17)4-6-12/h3-6,13-14H,7-9H2,1-2H3,(H,21,22)
InChIKeyYHSRSIIWWPAMLZ-UHFFFAOYSA-N
XLogP1.18
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-cyanobenzoyl)-4-(dimethylamino)piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-cyanobenzoyl)-4-morpholin-4-ylpiperidine-2-carboxylic acid
CID 134072263
(2R,4S)-4-(dimethylamino)-1-(3-fluoro-4-methylbenzoyl)piperidine-2-carboxylic acid
CID 97391072
(2S)-1-(4-cyanobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61152938
4-(dimethylamino)-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 134072245
4-[(2R,4S)-4-amino-2-methylpiperidine-1-carbonyl]benzonitrile
CID 124573728
(2R,4R)-4-(dimethylamino)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylic acid
CID 97468816
(2R,4S)-1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-2-carboxylic acid
CID 50949930
(2S,4R)-1-[(4-cyanophenyl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843403
4-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]benzonitrile
CID 133139578
(2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 15320435
4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]benzonitrile
CID 79028617
4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]benzonitrile
CID 66260511

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanobenzoyl)-4-(dimethylamino)piperidine-2-carboxylic acid?
The IUPAC name of 1-(4-cyanobenzoyl)-4-(dimethylamino)piperidine-2-carboxylic acid (CID 134078784) is 1-(4-cyanobenzoyl)-4-(dimethylamino)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-cyanobenzoyl)-4-(dimethylamino)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-cyanobenzoyl)-4-(dimethylamino)piperidine-2-carboxylic acid is CN(C)C1CCN(C(=O)c2ccc(C#N)cc2)C(C(=O)O)C1.
What is the InChIKey of 1-(4-cyanobenzoyl)-4-(dimethylamino)piperidine-2-carboxylic acid?
The InChIKey is YHSRSIIWWPAMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-18(2)13-7-8-19(14(9-13)16(21)22)15(20)12-5-3-11(10-17)4-6-12/h3-6,13-14H,7-9H2,1-2H3,(H,21,22).
What are the key properties of 1-(4-cyanobenzoyl)-4-(dimethylamino)piperidine-2-carboxylic acid?
1-(4-cyanobenzoyl)-4-(dimethylamino)piperidine-2-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanobenzoyl)-4-(dimethylamino)piperidine-2-carboxylic acid is sourced from PubChem (CID 134078784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).