N'-[[4-[4-(4,4-dimethylpiperidin-1-yl)anilino]phenyl]methyl]oxamide

C22H28N4O2 — CID 166062420

IUPACN'-[[4-[4-(4,4-dimethylpiperidin-1-yl)anilino]phenyl]methyl]oxamide
SMILESCC1(C)CCN(c2ccc(Nc3ccc(CNC(=O)C(N)=O)cc3)cc2)CC1
InChIInChI=1S/C22H28N4O2/c1-22(2)11-13-26(14-12-22)19-9-7-18(8-10-19)25-17-5-3-16(4-6-17)15-24-21(28)20(23)27/h3-10,25H,11-15H2,1-2H3,(H2,23,27)(H,24,28)
InChIKeyQZMAOTNVMHXSPF-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.16
Rot. Bonds5

About N'-[[4-[4-(4,4-dimethylpiperidin-1-yl)anilino]phenyl]methyl]oxamide

N'-[[4-[4-(4,4-dimethylpiperidin-1-yl)anilino]phenyl]methyl]oxamide (PubChem CID 166062420) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N'-[[4-[4-(4,4-dimethylpiperidin-1-yl)anilino]phenyl]methyl]oxamide.

Molecular Properties

Compound NameN'-[[4-[4-(4,4-dimethylpiperidin-1-yl)anilino]phenyl]methyl]oxamide
PubChem CID166062420
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN'-[[4-[4-(4,4-dimethylpiperidin-1-yl)anilino]phenyl]methyl]oxamide
SMILESCC1(C)CCN(c2ccc(Nc3ccc(CNC(=O)C(N)=O)cc3)cc2)CC1
InChIInChI=1S/C22H28N4O2/c1-22(2)11-13-26(14-12-22)19-9-7-18(8-10-19)25-17-5-3-16(4-6-17)15-24-21(28)20(23)27/h3-10,25H,11-15H2,1-2H3,(H2,23,27)(H,24,28)
InChIKeyQZMAOTNVMHXSPF-UHFFFAOYSA-N
XLogP3.16
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[[4-[4-(4,4-dimethylpiperidin-1-yl)anilino]phenyl]methyl]oxamide?
The IUPAC name of N'-[[4-[4-(4,4-dimethylpiperidin-1-yl)anilino]phenyl]methyl]oxamide (CID 166062420) is N'-[[4-[4-(4,4-dimethylpiperidin-1-yl)anilino]phenyl]methyl]oxamide.
What is the SMILES notation for N'-[[4-[4-(4,4-dimethylpiperidin-1-yl)anilino]phenyl]methyl]oxamide?
The canonical SMILES for N'-[[4-[4-(4,4-dimethylpiperidin-1-yl)anilino]phenyl]methyl]oxamide is CC1(C)CCN(c2ccc(Nc3ccc(CNC(=O)C(N)=O)cc3)cc2)CC1.
What is the InChIKey of N'-[[4-[4-(4,4-dimethylpiperidin-1-yl)anilino]phenyl]methyl]oxamide?
The InChIKey is QZMAOTNVMHXSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-22(2)11-13-26(14-12-22)19-9-7-18(8-10-19)25-17-5-3-16(4-6-17)15-24-21(28)20(23)27/h3-10,25H,11-15H2,1-2H3,(H2,23,27)(H,24,28).
What are the key properties of N'-[[4-[4-(4,4-dimethylpiperidin-1-yl)anilino]phenyl]methyl]oxamide?
N'-[[4-[4-(4,4-dimethylpiperidin-1-yl)anilino]phenyl]methyl]oxamide has a molecular weight of 380.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[4-(4,4-dimethylpiperidin-1-yl)anilino]phenyl]methyl]oxamide is sourced from PubChem (CID 166062420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).