4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide

C15H23N3O — CID 63249745

IUPAC4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
SMILESCNCC1CCCCN1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H23N3O/c1-17-10-14-4-2-3-9-18(14)11-12-5-7-13(8-6-12)15(16)19/h5-8,14,17H,2-4,9-11H2,1H3,(H2,16,19)
InChIKeyRLEMLBPMMWSWIN-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.36
Rot. Bonds5

About 4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide

4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide (PubChem CID 63249745) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
PubChem CID63249745
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
SMILESCNCC1CCCCN1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H23N3O/c1-17-10-14-4-2-3-9-18(14)11-12-5-7-13(8-6-12)15(16)19/h5-8,14,17H,2-4,9-11H2,1H3,(H2,16,19)
InChIKeyRLEMLBPMMWSWIN-UHFFFAOYSA-N
XLogP1.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[(2R)-1-[(4-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate
CID 94799225
3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride
CID 119928553
1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine
CID 63249108
4-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 111106900
4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 63248566
4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzamide
CID 95323908
1-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55168540
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-N-methylacetamide
CID 18933418
N-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine
CID 63250287
N-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine
CID 55168734
4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide
CID 129480393
4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]benzoic acid
CID 114337900

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide (CID 63249745) is 4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide is CNCC1CCCCN1Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide?
The InChIKey is RLEMLBPMMWSWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17-10-14-4-2-3-9-18(14)11-12-5-7-13(8-6-12)15(16)19/h5-8,14,17H,2-4,9-11H2,1H3,(H2,16,19).
What are the key properties of 4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide?
4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide has a molecular weight of 261.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 63249745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).