3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide

C15H23N3O — CID 62656714

IUPAC3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
SMILESCc1cc(C(N)=O)ccc1NCC1CCCCN1C
InChIInChI=1S/C15H23N3O/c1-11-9-12(15(16)19)6-7-14(11)17-10-13-5-3-4-8-18(13)2/h6-7,9,13,17H,3-5,8,10H2,1-2H3,(H2,16,19)
InChIKeyGKJKMZMIKLJAGS-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.99
Rot. Bonds4

About 3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide

3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide (PubChem CID 62656714) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
PubChem CID62656714
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
SMILESCc1cc(C(N)=O)ccc1NCC1CCCCN1C
InChIInChI=1S/C15H23N3O/c1-11-9-12(15(16)19)6-7-14(11)17-10-13-5-3-4-8-18(13)2/h6-7,9,13,17H,3-5,8,10H2,1-2H3,(H2,16,19)
InChIKeyGKJKMZMIKLJAGS-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylpiperidin-2-yl)methylamino]-4-nitrobenzamide
CID 82991901
4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 55099801
3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62656715
3-chloro-4-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 55181036
N,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62656532
2,4-difluoro-5-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62654717
3-methyl-4-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]benzoic acid
CID 106021097
2-methoxy-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62659446
4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 110473663
3-methyl-4-(oxolan-3-ylmethylamino)benzamide
CID 43706987
4-N,4-N-diethyl-2-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,4-diamine
CID 112720401
4-(2,2-dimethylpropylamino)-3-methylbenzamide
CID 61324735

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide?
The IUPAC name of 3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide (CID 62656714) is 3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide.
What is the SMILES notation for 3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide?
The canonical SMILES for 3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide is Cc1cc(C(N)=O)ccc1NCC1CCCCN1C.
What is the InChIKey of 3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide?
The InChIKey is GKJKMZMIKLJAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-9-12(15(16)19)6-7-14(11)17-10-13-5-3-4-8-18(13)2/h6-7,9,13,17H,3-5,8,10H2,1-2H3,(H2,16,19).
What are the key properties of 3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide?
3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide has a molecular weight of 261.37 g/mol, XLogP of 1.99, 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-2-yl)methylamino]benzamide is sourced from PubChem (CID 62656714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).