3-amino-N,N-dimethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide

C16H26N4O — CID 82990765

IUPAC3-amino-N,N-dimethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
SMILESCN1CCCC(CNc2ccc(C(=O)N(C)C)cc2N)C1
InChIInChI=1S/C16H26N4O/c1-19(2)16(21)13-6-7-15(14(17)9-13)18-10-12-5-4-8-20(3)11-12/h6-7,9,12,18H,4-5,8,10-11,17H2,1-3H3
InChIKeyTXJDPPNHXJQXBN-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.72
Rot. Bonds4

About 3-amino-N,N-dimethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide

3-amino-N,N-dimethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide (PubChem CID 82990765) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
PubChem CID82990765
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-amino-N,N-dimethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
SMILESCN1CCCC(CNc2ccc(C(=O)N(C)C)cc2N)C1
InChIInChI=1S/C16H26N4O/c1-19(2)16(21)13-6-7-15(14(17)9-13)18-10-12-5-4-8-20(3)11-12/h6-7,9,12,18H,4-5,8,10-11,17H2,1-3H3
InChIKeyTXJDPPNHXJQXBN-UHFFFAOYSA-N
XLogP1.72
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 82989904
3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide
CID 82989654
3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62656715
3-bromo-4-[(1-methylpiperidin-3-yl)methylamino]benzoic acid
CID 82801301
N-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62657161
methyl 3-amino-4-(cyclobutylmethylamino)benzoate
CID 61307905
4-methoxy-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62659783
4-amino-N,N-dimethyl-3-[(3-methylcyclopentyl)methylamino]benzamide
CID 107411309
methyl 4-chloro-3-[(1-methylpiperidin-3-yl)methylamino]benzoate
CID 62656913
ethyl 3-amino-4-(cyclohexylmethylamino)benzoate
CID 61305342
4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide
CID 106007203
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide
CID 82992240

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide (CID 82990765) is 3-amino-N,N-dimethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide is CN1CCCC(CNc2ccc(C(=O)N(C)C)cc2N)C1.
What is the InChIKey of 3-amino-N,N-dimethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The InChIKey is TXJDPPNHXJQXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19(2)16(21)13-6-7-15(14(17)9-13)18-10-12-5-4-8-20(3)11-12/h6-7,9,12,18H,4-5,8,10-11,17H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide?
3-amino-N,N-dimethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide has a molecular weight of 290.41 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide is sourced from PubChem (CID 82990765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).