2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride

C19H33Cl2N3O — CID 119849811

IUPAC2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride
SMILESCC1CCN(C(CNC(=O)Cc2ccc(N)cc2)C(C)C)CC1.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-14(2)18(22-10-8-15(3)9-11-22)13-21-19(23)12-16-4-6-17(20)7-5-16;;/h4-7,14-15,18H,8-13,20H2,1-3H3,(H,21,23);2*1H
InChIKeyHPZQDVDOYIIVFE-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.53
Rot. Bonds6

About 2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride

2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride (PubChem CID 119849811) has the molecular formula C19H33Cl2N3O and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride
PubChem CID119849811
Molecular FormulaC19H33Cl2N3O
Molecular Weight390.40 g/mol
Exact Mass389.20
IUPAC Name2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride
SMILESCC1CCN(C(CNC(=O)Cc2ccc(N)cc2)C(C)C)CC1.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-14(2)18(22-10-8-15(3)9-11-22)13-21-19(23)12-16-4-6-17(20)7-5-16;;/h4-7,14-15,18H,8-13,20H2,1-3H3,(H,21,23);2*1H
InChIKeyHPZQDVDOYIIVFE-UHFFFAOYSA-N
XLogP3.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide
CID 119849844
3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119849842
2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119946551
N-[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-(2-nitrophenyl)acetamide
CID 51941754
2-hydroxy-N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 39111251
2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide
CID 55658916
2-(4-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845145
2-[(4-cyanophenyl)methylsulfonyl]-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide
CID 55763584
2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide
CID 64569589
4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride
CID 119849813
1-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849849
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride (CID 119849811) is 2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride is CC1CCN(C(CNC(=O)Cc2ccc(N)cc2)C(C)C)CC1.Cl.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride?
The InChIKey is HPZQDVDOYIIVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.2ClH/c1-14(2)18(22-10-8-15(3)9-11-22)13-21-19(23)12-16-4-6-17(20)7-5-16;;/h4-7,14-15,18H,8-13,20H2,1-3H3,(H,21,23);2*1H.
What are the key properties of 2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride?
2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride has a molecular weight of 390.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride is sourced from PubChem (CID 119849811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).