4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid

C24H29N3O3 — CID 69475946

IUPAC4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(C(=O)O)CC2)c2cccc(N)c2)cc1
InChIInChI=1S/C24H29N3O3/c1-3-26(4-2)23(28)19-10-8-17(9-11-19)22(20-6-5-7-21(25)16-20)18-12-14-27(15-13-18)24(29)30/h5-11,16H,3-4,12-15,25H2,1-2H3,(H,29,30)
InChIKeyDNUSZJKYZBMJLR-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.33
Rot. Bonds5

About 4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid

4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid (PubChem CID 69475946) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid
PubChem CID69475946
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(C(=O)O)CC2)c2cccc(N)c2)cc1
InChIInChI=1S/C24H29N3O3/c1-3-26(4-2)23(28)19-10-8-17(9-11-19)22(20-6-5-7-21(25)16-20)18-12-14-27(15-13-18)24(29)30/h5-11,16H,3-4,12-15,25H2,1-2H3,(H,29,30)
InChIKeyDNUSZJKYZBMJLR-UHFFFAOYSA-N
XLogP4.33
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylate;ethane
CID 142891843
4-[bromo-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid
CID 22032720
N,N-diethyl-4-[(3-hydroxyphenyl)-(1-methoxypiperidin-4-ylidene)methyl]benzamide
CID 142966943
4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
CID 10226133
[3-[[4-(diethylcarbamoyl)phenyl]-(1-propylpiperidin-4-ylidene)methyl]phenyl]carbamic acid
CID 69478896
N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide
CID 10549849
[3-[[4-(diethylcarbamoyl)phenyl]-(1-methoxypiperidin-4-ylidene)methyl]phenyl] hypoiodite
CID 142966945
tert-butyl 4-[(3-acetamidophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylate
CID 170985373
N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride
CID 76848958
tert-butyl 4-[[4-(diethylcarbamoyl)phenyl]-(3-nitrophenyl)methylidene]piperidine-1-carboxylate
CID 11799351
N,N-diethyl-4-[(3-fluorophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]benzamide
CID 57392492
3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 10298976

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid (CID 69475946) is 4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid is CCN(CC)C(=O)c1ccc(C(=C2CCN(C(=O)O)CC2)c2cccc(N)c2)cc1.
What is the InChIKey of 4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid?
The InChIKey is DNUSZJKYZBMJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-3-26(4-2)23(28)19-10-8-17(9-11-19)22(20-6-5-7-21(25)16-20)18-12-14-27(15-13-18)24(29)30/h5-11,16H,3-4,12-15,25H2,1-2H3,(H,29,30).
What are the key properties of 4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid?
4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid has a molecular weight of 407.51 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid is sourced from PubChem (CID 69475946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).