N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide

C24H31N3O2 — CID 16886985

IUPACN'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC2CCN(CCc3ccccc3)CC2)cc1C
InChIInChI=1S/C24H31N3O2/c1-18-8-9-22(16-19(18)2)26-24(29)23(28)25-17-21-11-14-27(15-12-21)13-10-20-6-4-3-5-7-20/h3-9,16,21H,10-15,17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyCEMIRPVRLGZYFT-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.31
Rot. Bonds6

About N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide

N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide (PubChem CID 16886985) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
PubChem CID16886985
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC2CCN(CCc3ccccc3)CC2)cc1C
InChIInChI=1S/C24H31N3O2/c1-18-8-9-22(16-19(18)2)26-24(29)23(28)25-17-21-11-14-27(15-12-21)13-10-20-6-4-3-5-7-20/h3-9,16,21H,10-15,17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyCEMIRPVRLGZYFT-UHFFFAOYSA-N
XLogP3.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.31
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'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886959
1-(3,4-dimethylphenyl)-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 23607955
N'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886956
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 16886993
N'-(2,3-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886973
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 16886954
N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886913
N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539
N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110099
N-[(1-benzylpiperidin-4-yl)methyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 16886848
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
N-(3-chloro-4-methoxyphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 15923223

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide (CID 16886985) is N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide is Cc1ccc(NC(=O)C(=O)NCC2CCN(CCc3ccccc3)CC2)cc1C.
What is the InChIKey of N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is CEMIRPVRLGZYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18-8-9-22(16-19(18)2)26-24(29)23(28)25-17-21-11-14-27(15-12-21)13-10-20-6-4-3-5-7-20/h3-9,16,21H,10-15,17H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide?
N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 393.53 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 16886985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).