2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide

C15H22ClN3O — CID 62659261

IUPAC2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide
SMILESCNC(=O)c1cc(NCC2CCCN(C)C2)ccc1Cl
InChIInChI=1S/C15H22ClN3O/c1-17-15(20)13-8-12(5-6-14(13)16)18-9-11-4-3-7-19(2)10-11/h5-6,8,11,18H,3-4,7,9-10H2,1-2H3,(H,17,20)
InChIKeyUIKNAYLWEFTEGD-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.45
Rot. Bonds4

About 2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide

2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide (PubChem CID 62659261) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide
PubChem CID62659261
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide
SMILESCNC(=O)c1cc(NCC2CCCN(C)C2)ccc1Cl
InChIInChI=1S/C15H22ClN3O/c1-17-15(20)13-8-12(5-6-14(13)16)18-9-11-4-3-7-19(2)10-11/h5-6,8,11,18H,3-4,7,9-10H2,1-2H3,(H,17,20)
InChIKeyUIKNAYLWEFTEGD-UHFFFAOYSA-N
XLogP2.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide
CID 63740745
2-chloro-N-methyl-5-(thiolan-3-ylmethylamino)benzamide
CID 107131863
N,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62658463
3-chloro-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 55100033
N'-(3,4-dichlorophenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]oxamide
CID 95350092
2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol
CID 64780913
methyl 4-chloro-3-[(1-methylpiperidin-3-yl)methylamino]benzoate
CID 62656913
N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62656504
2-chloro-5-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 62657718
2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzenecarbothioamide
CID 81276733
5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 107195432
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide
CID 62654182

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The IUPAC name of 2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide (CID 62659261) is 2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide is CNC(=O)c1cc(NCC2CCCN(C)C2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The InChIKey is UIKNAYLWEFTEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-17-15(20)13-8-12(5-6-14(13)16)18-9-11-4-3-7-19(2)10-11/h5-6,8,11,18H,3-4,7,9-10H2,1-2H3,(H,17,20).
What are the key properties of 2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide?
2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide has a molecular weight of 295.81 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide is sourced from PubChem (CID 62659261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).