4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylbenzamide

C28H32N4O2 — CID 25023857

IUPAC4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CN2CCC(c3ccc(C(=O)Nc4ccccc4N)cc3)CC2)cc1
InChIInChI=1S/C28H32N4O2/c1-31(2)28(34)24-9-7-20(8-10-24)19-32-17-15-22(16-18-32)21-11-13-23(14-12-21)27(33)30-26-6-4-3-5-25(26)29/h3-14,22H,15-19,29H2,1-2H3,(H,30,33)
InChIKeyRKDSFEZOQXKQOR-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.60
Rot. Bonds6

About 4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylbenzamide

4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylbenzamide (PubChem CID 25023857) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylbenzamide
PubChem CID25023857
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CN2CCC(c3ccc(C(=O)Nc4ccccc4N)cc3)CC2)cc1
InChIInChI=1S/C28H32N4O2/c1-31(2)28(34)24-9-7-20(8-10-24)19-32-17-15-22(16-18-32)21-11-13-23(14-12-21)27(33)30-26-6-4-3-5-25(26)29/h3-14,22H,15-19,29H2,1-2H3,(H,30,33)
InChIKeyRKDSFEZOQXKQOR-UHFFFAOYSA-N
XLogP4.60
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylbenzamide (CID 25023857) is 4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CN2CCC(c3ccc(C(=O)Nc4ccccc4N)cc3)CC2)cc1.
What is the InChIKey of 4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylbenzamide?
The InChIKey is RKDSFEZOQXKQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-31(2)28(34)24-9-7-20(8-10-24)19-32-17-15-22(16-18-32)21-11-13-23(14-12-21)27(33)30-26-6-4-3-5-25(26)29/h3-14,22H,15-19,29H2,1-2H3,(H,30,33).
What are the key properties of 4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylbenzamide?
4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylbenzamide has a molecular weight of 456.59 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 25023857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).