4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride

C17H26ClN3O2 — CID 119806345

IUPAC4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride
SMILESCNCCCC(=O)NC1CCCN(c2ccc(C)cc2)C1=O.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-13-7-9-14(10-8-13)20-12-4-5-15(17(20)22)19-16(21)6-3-11-18-2;/h7-10,15,18H,3-6,11-12H2,1-2H3,(H,19,21);1H
InChIKeyHVOHXRVFJGGQEG-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.03
Rot. Bonds6

About 4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride

4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride (PubChem CID 119806345) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride
PubChem CID119806345
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride
SMILESCNCCCC(=O)NC1CCCN(c2ccc(C)cc2)C1=O.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-13-7-9-14(10-8-13)20-12-4-5-15(17(20)22)19-16(21)6-3-11-18-2;/h7-10,15,18H,3-6,11-12H2,1-2H3,(H,19,21);1H
InChIKeyHVOHXRVFJGGQEG-UHFFFAOYSA-N
XLogP2.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.03
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

4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
CID 119781166
2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride
CID 119336545
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide
CID 119798450
7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119802718
1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 96566181
2-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 119787596
3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide
CID 120611290
N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide
CID 119336564
1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 167807431
N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride
CID 119792208
1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea
CID 163572506
9-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120991016

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride (CID 119806345) is 4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride is CNCCCC(=O)NC1CCCN(c2ccc(C)cc2)C1=O.Cl.
What is the InChIKey of 4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride?
The InChIKey is HVOHXRVFJGGQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-13-7-9-14(10-8-13)20-12-4-5-15(17(20)22)19-16(21)6-3-11-18-2;/h7-10,15,18H,3-6,11-12H2,1-2H3,(H,19,21);1H.
What are the key properties of 4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride?
4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride is sourced from PubChem (CID 119806345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).