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

C17H27N3O — CID 62657165

IUPAC4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNCC2CCN(C)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-14-3-5-16(6-4-14)17(21)19-10-9-18-13-15-7-11-20(2)12-8-15/h3-6,15,18H,7-13H2,1-2H3,(H,19,21)
InChIKeyRKKFRAXRDIBWQJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.66
Rot. Bonds6

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

4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide (PubChem CID 62657165) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide
PubChem CID62657165
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNCC2CCN(C)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-14-3-5-16(6-4-14)17(21)19-10-9-18-13-15-7-11-20(2)12-8-15/h3-6,15,18H,7-13H2,1-2H3,(H,19,21)
InChIKeyRKKFRAXRDIBWQJ-UHFFFAOYSA-N
XLogP1.66
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide
CID 62656966
4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide
CID 107529194
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119865905
4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895373
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide
CID 60965036
N-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide
CID 80560795
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide
CID 99590993
4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide (CID 62657165) is 4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide is Cc1ccc(C(=O)NCCNCC2CCN(C)CC2)cc1.
What is the InChIKey of 4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide?
The InChIKey is RKKFRAXRDIBWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-3-5-16(6-4-14)17(21)19-10-9-18-13-15-7-11-20(2)12-8-15/h3-6,15,18H,7-13H2,1-2H3,(H,19,21).
What are the key properties of 4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide?
4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide has a molecular weight of 289.42 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide is sourced from PubChem (CID 62657165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).