N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide

C20H31N3O2 — CID 16909784

IUPACN-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(CC(=O)Nc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C20H31N3O2/c1-4-5-10-21-20(25)17-8-11-23(12-9-17)14-19(24)22-18-7-6-15(2)16(3)13-18/h6-7,13,17H,4-5,8-12,14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyWTNPHMOZBBSIHH-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.87
Rot. Bonds7

About N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide

N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 16909784) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID16909784
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(CC(=O)Nc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C20H31N3O2/c1-4-5-10-21-20(25)17-8-11-23(12-9-17)14-19(24)22-18-7-6-15(2)16(3)13-18/h6-7,13,17H,4-5,8-12,14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyWTNPHMOZBBSIHH-UHFFFAOYSA-N
XLogP2.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909883
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 16909824
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 16909550
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 16909868
N-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909878
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 16909809
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 16909852
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909803
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
CID 16909841
N-(5-bromo-2-pyridinyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55816440
1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55989659

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 16909784) is N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide is CCCCNC(=O)C1CCN(CC(=O)Nc2ccc(C)c(C)c2)CC1.
What is the InChIKey of N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is WTNPHMOZBBSIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-4-5-10-21-20(25)17-8-11-23(12-9-17)14-19(24)22-18-7-6-15(2)16(3)13-18/h6-7,13,17H,4-5,8-12,14H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 16909784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).