3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide

C15H23N3O — CID 62656715

IUPAC3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
SMILESCc1cc(C(N)=O)ccc1NCC1CCCN(C)C1
InChIInChI=1S/C15H23N3O/c1-11-8-13(15(16)19)5-6-14(11)17-9-12-4-3-7-18(2)10-12/h5-6,8,12,17H,3-4,7,9-10H2,1-2H3,(H2,16,19)
InChIKeyYIHRICRPMUYUSZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.85
Rot. Bonds4

About 3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide

3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide (PubChem CID 62656715) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide.

Molecular Properties

Compound Name3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
PubChem CID62656715
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
SMILESCc1cc(C(N)=O)ccc1NCC1CCCN(C)C1
InChIInChI=1S/C15H23N3O/c1-11-8-13(15(16)19)5-6-14(11)17-9-12-4-3-7-18(2)10-12/h5-6,8,12,17H,3-4,7,9-10H2,1-2H3,(H2,16,19)
InChIKeyYIHRICRPMUYUSZ-UHFFFAOYSA-N
XLogP1.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62657161
4-methoxy-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62659783
3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62656714
3-bromo-4-[(1-methylpiperidin-3-yl)methylamino]benzoic acid
CID 82801301
3-amino-N,N-dimethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 82990765
3-methyl-4-(oxolan-3-ylmethylamino)benzamide
CID 43706987
3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 82989904
2-[(1-methylpiperidin-3-yl)methylamino]-5-nitrobenzamide
CID 133454540
2,4-difluoro-5-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62654718
methyl 4-chloro-3-[(1-methylpiperidin-3-yl)methylamino]benzoate
CID 62656913
3-[1-[(4-carbamoyl-2-methylphenyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 146096658
2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzenecarbothioamide
CID 81276733

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The IUPAC name of 3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide (CID 62656715) is 3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide.
What is the SMILES notation for 3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The canonical SMILES for 3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide is Cc1cc(C(N)=O)ccc1NCC1CCCN(C)C1.
What is the InChIKey of 3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The InChIKey is YIHRICRPMUYUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-8-13(15(16)19)5-6-14(11)17-9-12-4-3-7-18(2)10-12/h5-6,8,12,17H,3-4,7,9-10H2,1-2H3,(H2,16,19).
What are the key properties of 3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide?
3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide has a molecular weight of 261.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide is sourced from PubChem (CID 62656715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).