2-chloro-N-methyl-5-[(1,2,5-trimethylpiperidin-4-yl)amino]benzamide

C16H24ClN3O — CID 60936196

IUPAC2-chloro-N-methyl-5-[(1,2,5-trimethylpiperidin-4-yl)amino]benzamide
SMILESCNC(=O)c1cc(NC2CC(C)N(C)CC2C)ccc1Cl
InChIInChI=1S/C16H24ClN3O/c1-10-9-20(4)11(2)7-15(10)19-12-5-6-14(17)13(8-12)16(21)18-3/h5-6,8,10-11,15,19H,7,9H2,1-4H3,(H,18,21)
InChIKeyJSMUOOWILFNYCI-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.84
Rot. Bonds3

About 2-chloro-N-methyl-5-[(1,2,5-trimethylpiperidin-4-yl)amino]benzamide

2-chloro-N-methyl-5-[(1,2,5-trimethylpiperidin-4-yl)amino]benzamide (PubChem CID 60936196) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-[(1,2,5-trimethylpiperidin-4-yl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-[(1,2,5-trimethylpiperidin-4-yl)amino]benzamide
PubChem CID60936196
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-chloro-N-methyl-5-[(1,2,5-trimethylpiperidin-4-yl)amino]benzamide
SMILESCNC(=O)c1cc(NC2CC(C)N(C)CC2C)ccc1Cl
InChIInChI=1S/C16H24ClN3O/c1-10-9-20(4)11(2)7-15(10)19-12-5-6-14(17)13(8-12)16(21)18-3/h5-6,8,10-11,15,19H,7,9H2,1-4H3,(H,18,21)
InChIKeyJSMUOOWILFNYCI-UHFFFAOYSA-N
XLogP2.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 107270537
N-(4-chlorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665402
N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665336
2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide
CID 112633806
N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 65435866
N-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 82865025
N-(4-tert-butylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665344
N-(3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665401
[3-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]methanol
CID 43715216
2-chloro-N-methyl-5-[(4-methylcycloheptyl)amino]benzamide
CID 65079977
N,N-diethyl-2-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]acetamide
CID 75472347
5-[(1,2,5-trimethylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
CID 43741600

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-[(1,2,5-trimethylpiperidin-4-yl)amino]benzamide?
The IUPAC name of 2-chloro-N-methyl-5-[(1,2,5-trimethylpiperidin-4-yl)amino]benzamide (CID 60936196) is 2-chloro-N-methyl-5-[(1,2,5-trimethylpiperidin-4-yl)amino]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-[(1,2,5-trimethylpiperidin-4-yl)amino]benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-[(1,2,5-trimethylpiperidin-4-yl)amino]benzamide is CNC(=O)c1cc(NC2CC(C)N(C)CC2C)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-[(1,2,5-trimethylpiperidin-4-yl)amino]benzamide?
The InChIKey is JSMUOOWILFNYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-10-9-20(4)11(2)7-15(10)19-12-5-6-14(17)13(8-12)16(21)18-3/h5-6,8,10-11,15,19H,7,9H2,1-4H3,(H,18,21).
What are the key properties of 2-chloro-N-methyl-5-[(1,2,5-trimethylpiperidin-4-yl)amino]benzamide?
2-chloro-N-methyl-5-[(1,2,5-trimethylpiperidin-4-yl)amino]benzamide has a molecular weight of 309.84 g/mol, XLogP of 2.84, 3 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-[(1,2,5-trimethylpiperidin-4-yl)amino]benzamide is sourced from PubChem (CID 60936196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).