N-(2-aminophenyl)-4-[(1-pentylpiperidin-4-ylidene)methyl]benzamide

C24H31N3O — CID 138662403

IUPACN-(2-aminophenyl)-4-[(1-pentylpiperidin-4-ylidene)methyl]benzamide
SMILESCCCCCN1CCC(=Cc2ccc(C(=O)Nc3ccccc3N)cc2)CC1
InChIInChI=1S/C24H31N3O/c1-2-3-6-15-27-16-13-20(14-17-27)18-19-9-11-21(12-10-19)24(28)26-23-8-5-4-7-22(23)25/h4-5,7-12,18H,2-3,6,13-17,25H2,1H3,(H,26,28)
InChIKeyTWGNNKLUFBHRLI-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.19
Rot. Bonds7

About N-(2-aminophenyl)-4-[(1-pentylpiperidin-4-ylidene)methyl]benzamide

N-(2-aminophenyl)-4-[(1-pentylpiperidin-4-ylidene)methyl]benzamide (PubChem CID 138662403) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(1-pentylpiperidin-4-ylidene)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(1-pentylpiperidin-4-ylidene)methyl]benzamide
PubChem CID138662403
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-(2-aminophenyl)-4-[(1-pentylpiperidin-4-ylidene)methyl]benzamide
SMILESCCCCCN1CCC(=Cc2ccc(C(=O)Nc3ccccc3N)cc2)CC1
InChIInChI=1S/C24H31N3O/c1-2-3-6-15-27-16-13-20(14-17-27)18-19-9-11-21(12-10-19)24(28)26-23-8-5-4-7-22(23)25/h4-5,7-12,18H,2-3,6,13-17,25H2,1H3,(H,26,28)
InChIKeyTWGNNKLUFBHRLI-UHFFFAOYSA-N
XLogP5.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 68976485
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CID 22668103

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(1-pentylpiperidin-4-ylidene)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(1-pentylpiperidin-4-ylidene)methyl]benzamide (CID 138662403) is N-(2-aminophenyl)-4-[(1-pentylpiperidin-4-ylidene)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(1-pentylpiperidin-4-ylidene)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(1-pentylpiperidin-4-ylidene)methyl]benzamide is CCCCCN1CCC(=Cc2ccc(C(=O)Nc3ccccc3N)cc2)CC1.
What is the InChIKey of N-(2-aminophenyl)-4-[(1-pentylpiperidin-4-ylidene)methyl]benzamide?
The InChIKey is TWGNNKLUFBHRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-2-3-6-15-27-16-13-20(14-17-27)18-19-9-11-21(12-10-19)24(28)26-23-8-5-4-7-22(23)25/h4-5,7-12,18H,2-3,6,13-17,25H2,1H3,(H,26,28).
What are the key properties of N-(2-aminophenyl)-4-[(1-pentylpiperidin-4-ylidene)methyl]benzamide?
N-(2-aminophenyl)-4-[(1-pentylpiperidin-4-ylidene)methyl]benzamide has a molecular weight of 377.53 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(1-pentylpiperidin-4-ylidene)methyl]benzamide is sourced from PubChem (CID 138662403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).