N,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide

C16H25N3O — CID 62658463

IUPACN,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
SMILESCNC(=O)c1cccc(NCC2CCCN(C)C2)c1C
InChIInChI=1S/C16H25N3O/c1-12-14(16(20)17-2)7-4-8-15(12)18-10-13-6-5-9-19(3)11-13/h4,7-8,13,18H,5-6,9-11H2,1-3H3,(H,17,20)
InChIKeyNVLGJLYKRGHBAF-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.11
Rot. Bonds4

About N,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide

N,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide (PubChem CID 62658463) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
PubChem CID62658463
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
SMILESCNC(=O)c1cccc(NCC2CCCN(C)C2)c1C
InChIInChI=1S/C16H25N3O/c1-12-14(16(20)17-2)7-4-8-15(12)18-10-13-6-5-9-19(3)11-13/h4,7-8,13,18H,5-6,9-11H2,1-3H3,(H,17,20)
InChIKeyNVLGJLYKRGHBAF-UHFFFAOYSA-N
XLogP2.11
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62655606
N,2-dimethyl-3-(oxan-3-ylmethylamino)benzamide
CID 63740558
3-bromo-2-methyl-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 107629665
2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62659261
2-fluoro-6-[(1-methylpiperidin-3-yl)methylamino]benzoic acid
CID 79522921
N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
CID 43734523
2-fluoro-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62655960
N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63108415
2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 113339088
3-(1-cyclobutylpropan-2-ylamino)-N,2-dimethylbenzamide
CID 115916570
N-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 62655412
1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol
CID 62658137

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The IUPAC name of N,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide (CID 62658463) is N,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide.
What is the SMILES notation for N,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The canonical SMILES for N,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide is CNC(=O)c1cccc(NCC2CCCN(C)C2)c1C.
What is the InChIKey of N,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The InChIKey is NVLGJLYKRGHBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-14(16(20)17-2)7-4-8-15(12)18-10-13-6-5-9-19(3)11-13/h4,7-8,13,18H,5-6,9-11H2,1-3H3,(H,17,20).
What are the key properties of N,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide?
N,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide has a molecular weight of 275.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide is sourced from PubChem (CID 62658463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).