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

C15H23N3O — CID 63248566

IUPAC4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
SMILESCNCC1CCN(Cc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C15H23N3O/c1-17-10-12-6-8-18(9-7-12)11-13-2-4-14(5-3-13)15(16)19/h2-5,12,17H,6-11H2,1H3,(H2,16,19)
InChIKeyODBAHCMARFHIJG-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.22
Rot. Bonds5

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

4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide (PubChem CID 63248566) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
PubChem CID63248566
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
SMILESCNCC1CCN(Cc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C15H23N3O/c1-17-10-12-6-8-18(9-7-12)11-13-2-4-14(5-3-13)15(16)19/h2-5,12,17H,6-11H2,1H3,(H2,16,19)
InChIKeyODBAHCMARFHIJG-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119922608
2-[4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 63251014
4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-3-nitrobenzamide;hydrochloride
CID 119922282
4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 63249745
N-methyl-1-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922494
4-[(3-aminopiperidin-1-yl)methyl]benzamide
CID 61295537
4-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]benzamide
CID 112630317
1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone
CID 159274096
2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248963
2-[4-[1-[[3-(3,5-dichlorophenyl)-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]piperidin-1-yl]acetamide
CID 176957106
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540253
2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 61206346

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide (CID 63248566) is 4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide is CNCC1CCN(Cc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide?
The InChIKey is ODBAHCMARFHIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17-10-12-6-8-18(9-7-12)11-13-2-4-14(5-3-13)15(16)19/h2-5,12,17H,6-11H2,1H3,(H2,16,19).
What are the key properties of 4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide?
4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide has a molecular weight of 261.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 63248566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).