3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride

C17H30Cl2N4O — CID 120503561

IUPAC3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)Nc1ccccc1NC1CCN(C)CC1.Cl.Cl
InChIInChI=1S/C17H28N4O.2ClH/c1-12(13(2)18)17(22)20-16-7-5-4-6-15(16)19-14-8-10-21(3)11-9-14;;/h4-7,12-14,19H,8-11,18H2,1-3H3,(H,20,22);2*1H
InChIKeyLGSBBWFGXHMYRO-UHFFFAOYSA-N
MW377.36 g/mol
LogP2.96
Rot. Bonds5

About 3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride

3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride (PubChem CID 120503561) has the molecular formula C17H30Cl2N4O and a molecular weight of 377.36 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride
PubChem CID120503561
Molecular FormulaC17H30Cl2N4O
Molecular Weight377.36 g/mol
Exact Mass376.18
IUPAC Name3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)Nc1ccccc1NC1CCN(C)CC1.Cl.Cl
InChIInChI=1S/C17H28N4O.2ClH/c1-12(13(2)18)17(22)20-16-7-5-4-6-15(16)19-14-8-10-21(3)11-9-14;;/h4-7,12-14,19H,8-11,18H2,1-3H3,(H,20,22);2*1H
InChIKeyLGSBBWFGXHMYRO-UHFFFAOYSA-N
XLogP2.96
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide
CID 119871542
2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 119871528
4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide
CID 120596280
3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride
CID 120503282
trans-(1S,2S)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 95325918
3-amino-2-methyl-N-[2-(oxolan-3-yloxy)phenyl]butanamide;hydrochloride
CID 120501820
N-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 43692186
N-methyl-N-[[2-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide
CID 43692067
methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate
CID 43139508
3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride
CID 120501372
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503054
3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
CID 120503779

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride (CID 120503561) is 3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride is CC(N)C(C)C(=O)Nc1ccccc1NC1CCN(C)CC1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride?
The InChIKey is LGSBBWFGXHMYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.2ClH/c1-12(13(2)18)17(22)20-16-7-5-4-6-15(16)19-14-8-10-21(3)11-9-14;;/h4-7,12-14,19H,8-11,18H2,1-3H3,(H,20,22);2*1H.
What are the key properties of 3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride?
3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride has a molecular weight of 377.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride is sourced from PubChem (CID 120503561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).