N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride

C17H26ClN3O2 — CID 119792208

IUPACN-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride
SMILESCNCCCC(=O)N(C)C1CCCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-18-12-6-11-16(21)19(2)15-10-7-13-20(17(15)22)14-8-4-3-5-9-14;/h3-5,8-9,15,18H,6-7,10-13H2,1-2H3;1H
InChIKeyGAOODNOBKAGSDU-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.06
Rot. Bonds6

About N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride

N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride (PubChem CID 119792208) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride
PubChem CID119792208
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride
SMILESCNCCCC(=O)N(C)C1CCCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-18-12-6-11-16(21)19(2)15-10-7-13-20(17(15)22)14-8-4-3-5-9-14;/h3-5,8-9,15,18H,6-7,10-13H2,1-2H3;1H
InChIKeyGAOODNOBKAGSDU-UHFFFAOYSA-N
XLogP2.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119792209
4-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119328406
N-methyl-2-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 119776453
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119319399
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119319400
7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide
CID 119776437
2-(2-methoxyethylamino)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 119776472
1-hydroxy-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 111389802
1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide
CID 119792199
4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
CID 119781166
1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)-3-(2-phenylcyclopropyl)urea
CID 102557345
2-(2-methoxyethylamino)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 119776473

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride?
The IUPAC name of N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride (CID 119792208) is N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride.
What is the SMILES notation for N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride?
The canonical SMILES for N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride is CNCCCC(=O)N(C)C1CCCN(c2ccccc2)C1=O.Cl.
What is the InChIKey of N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride?
The InChIKey is GAOODNOBKAGSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-18-12-6-11-16(21)19(2)15-10-7-13-20(17(15)22)14-8-4-3-5-9-14;/h3-5,8-9,15,18H,6-7,10-13H2,1-2H3;1H.
What are the key properties of N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride?
N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride is sourced from PubChem (CID 119792208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).