N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-4,6-dimethylphenyl)oxamide

C22H26ClN3O2 — CID 108532245

IUPACN-(1-benzylpiperidin-4-yl)-N'-(2-chloro-4,6-dimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C22H26ClN3O2/c1-15-12-16(2)20(19(23)13-15)25-22(28)21(27)24-18-8-10-26(11-9-18)14-17-6-4-3-5-7-17/h3-7,12-13,18H,8-11,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyAAQLRVXRMGGFJP-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.68
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-4,6-dimethylphenyl)oxamide

N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-4,6-dimethylphenyl)oxamide (PubChem CID 108532245) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-4,6-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N'-(2-chloro-4,6-dimethylphenyl)oxamide
PubChem CID108532245
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-N'-(2-chloro-4,6-dimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C22H26ClN3O2/c1-15-12-16(2)20(19(23)13-15)25-22(28)21(27)24-18-8-10-26(11-9-18)14-17-6-4-3-5-7-17/h3-7,12-13,18H,8-11,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyAAQLRVXRMGGFJP-UHFFFAOYSA-N
XLogP3.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzylpiperidin-4-yl)-N'-(2-bromo-4-methylphenyl)oxamide
CID 108532604
1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 45013570
N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 8682410
1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2,4,6-trimethylphenyl)urea
CID 47049556
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide
CID 108520507
1-(1-benzylpiperidin-4-yl)-3-(5,6-dimethylpyridazin-3-yl)urea
CID 56793006
1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea
CID 23825400
N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521147
1-(1-benzylpiperidin-4-yl)-3-(5-chloro-2-methylphenyl)thiourea
CID 17264882
N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519242

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-4,6-dimethylphenyl)oxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-4,6-dimethylphenyl)oxamide (CID 108532245) is N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-4,6-dimethylphenyl)oxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-4,6-dimethylphenyl)oxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-4,6-dimethylphenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)c(Cl)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-4,6-dimethylphenyl)oxamide?
The InChIKey is AAQLRVXRMGGFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-15-12-16(2)20(19(23)13-15)25-22(28)21(27)24-18-8-10-26(11-9-18)14-17-6-4-3-5-7-17/h3-7,12-13,18H,8-11,14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-4,6-dimethylphenyl)oxamide?
N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-4,6-dimethylphenyl)oxamide has a molecular weight of 399.92 g/mol, XLogP of 3.68, 4 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)-N'-(2-chloro-4,6-dimethylphenyl)oxamide is sourced from PubChem (CID 108532245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).