N-[(1-benzylpiperidin-4-yl)methyl]-N'-[(2-chlorophenyl)methyl]oxamide

C22H26ClN3O2 — CID 16886894

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-N'-[(2-chlorophenyl)methyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26ClN3O2/c23-20-9-5-4-8-19(20)15-25-22(28)21(27)24-14-17-10-12-26(13-11-17)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H,24,27)(H,25,28)
InChIKeyGSEPGNORQMKWQB-UHFFFAOYSA-N
MW399.92 g/mol
LogP2.98
Rot. Bonds6

About N-[(1-benzylpiperidin-4-yl)methyl]-N'-[(2-chlorophenyl)methyl]oxamide

N-[(1-benzylpiperidin-4-yl)methyl]-N'-[(2-chlorophenyl)methyl]oxamide (PubChem CID 16886894) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-N'-[(2-chlorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-N'-[(2-chlorophenyl)methyl]oxamide
PubChem CID16886894
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-N'-[(2-chlorophenyl)methyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26ClN3O2/c23-20-9-5-4-8-19(20)15-25-22(28)21(27)24-14-17-10-12-26(13-11-17)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H,24,27)(H,25,28)
InChIKeyGSEPGNORQMKWQB-UHFFFAOYSA-N
XLogP2.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-N'-[(2-chlorophenyl)methyl]oxamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-N'-[(2-chlorophenyl)methyl]oxamide (CID 16886894) is N-[(1-benzylpiperidin-4-yl)methyl]-N'-[(2-chlorophenyl)methyl]oxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-N'-[(2-chlorophenyl)methyl]oxamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-N'-[(2-chlorophenyl)methyl]oxamide is O=C(NCc1ccccc1Cl)C(=O)NCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-N'-[(2-chlorophenyl)methyl]oxamide?
The InChIKey is GSEPGNORQMKWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c23-20-9-5-4-8-19(20)15-25-22(28)21(27)24-14-17-10-12-26(13-11-17)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H,24,27)(H,25,28).
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-N'-[(2-chlorophenyl)methyl]oxamide?
N-[(1-benzylpiperidin-4-yl)methyl]-N'-[(2-chlorophenyl)methyl]oxamide has a molecular weight of 399.92 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-N'-[(2-chlorophenyl)methyl]oxamide is sourced from PubChem (CID 16886894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).