5-amino-3-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]benzamide

C15H23ClN4O — CID 107197042

IUPAC5-amino-3-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]benzamide
SMILESCN1CCC(C)(CNc2c(Cl)cc(N)cc2C(N)=O)CC1
InChIInChI=1S/C15H23ClN4O/c1-15(3-5-20(2)6-4-15)9-19-13-11(14(18)21)7-10(17)8-12(13)16/h7-8,19H,3-6,9,17H2,1-2H3,(H2,18,21)
InChIKeyAPYONBDLIYVWBZ-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.16
Rot. Bonds4

About 5-amino-3-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]benzamide

5-amino-3-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]benzamide (PubChem CID 107197042) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]benzamide
PubChem CID107197042
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name5-amino-3-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]benzamide
SMILESCN1CCC(C)(CNc2c(Cl)cc(N)cc2C(N)=O)CC1
InChIInChI=1S/C15H23ClN4O/c1-15(3-5-20(2)6-4-15)9-19-13-11(14(18)21)7-10(17)8-12(13)16/h7-8,19H,3-6,9,17H2,1-2H3,(H2,18,21)
InChIKeyAPYONBDLIYVWBZ-UHFFFAOYSA-N
XLogP2.16
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-3-chloro-2-[(1-methylcyclopropyl)methylamino]benzoate
CID 114101734
5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide
CID 114096478
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 107195432
5-amino-3-chloro-2-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 107195763
5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide
CID 107192487
5-amino-3-chloro-2-[(1-methylcyclobutyl)amino]benzamide
CID 107196745
5-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-fluorobenzamide
CID 107162875
5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide
CID 107196159
5-amino-3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)benzamide
CID 107195785
5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide
CID 107196630
4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine
CID 107163015

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]benzamide (CID 107197042) is 5-amino-3-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]benzamide is CN1CCC(C)(CNc2c(Cl)cc(N)cc2C(N)=O)CC1.
What is the InChIKey of 5-amino-3-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]benzamide?
The InChIKey is APYONBDLIYVWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-15(3-5-20(2)6-4-15)9-19-13-11(14(18)21)7-10(17)8-12(13)16/h7-8,19H,3-6,9,17H2,1-2H3,(H2,18,21).
What are the key properties of 5-amino-3-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]benzamide?
5-amino-3-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]benzamide has a molecular weight of 310.83 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]benzamide is sourced from PubChem (CID 107197042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).