N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide

C15H23N3O — CID 67106005

IUPACN,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCNC(=O)c1cc(CN2CCN(C)CC2)ccc1C
InChIInChI=1S/C15H23N3O/c1-12-4-5-13(10-14(12)15(19)16-2)11-18-8-6-17(3)7-9-18/h4-5,10H,6-9,11H2,1-3H3,(H,16,19)
InChIKeyOANJYZHQUHQVRN-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.10
Rot. Bonds3

About N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide

N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 67106005) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID67106005
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCNC(=O)c1cc(CN2CCN(C)CC2)ccc1C
InChIInChI=1S/C15H23N3O/c1-12-4-5-13(10-14(12)15(19)16-2)11-18-8-6-17(3)7-9-18/h4-5,10H,6-9,11H2,1-3H3,(H,16,19)
InChIKeyOANJYZHQUHQVRN-UHFFFAOYSA-N
XLogP1.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 120647867
2-methyl-N-(1-methylpiperidin-4-yl)-5-(morpholin-4-ylmethyl)benzamide
CID 70846032
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide
CID 70845924
1-[2-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(oxan-4-yl)ethanone
CID 157306935
5-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)benzoic acid
CID 117221627
2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide
CID 70845853
2-methyl-5-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzamide
CID 142718219
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methyl-N-(oxan-4-yl)benzamide
CID 70845852
2-fluoro-5-[(4-methyl-1,4-diazepan-1-yl)methyl]benzoic acid
CID 114012213
N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 110903134
1-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]ethanone
CID 123780997

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 67106005) is N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide is CNC(=O)c1cc(CN2CCN(C)CC2)ccc1C.
What is the InChIKey of N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is OANJYZHQUHQVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-4-5-13(10-14(12)15(19)16-2)11-18-8-6-17(3)7-9-18/h4-5,10H,6-9,11H2,1-3H3,(H,16,19).
What are the key properties of N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide?
N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 261.37 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 67106005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).