3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide

C16H25N3O — CID 114484796

IUPAC3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
SMILESCNCC1CCCN(Cc2ccc(C(N)=O)cc2C)C1
InChIInChI=1S/C16H25N3O/c1-12-8-14(16(17)20)5-6-15(12)11-19-7-3-4-13(10-19)9-18-2/h5-6,8,13,18H,3-4,7,9-11H2,1-2H3,(H2,17,20)
InChIKeyDMIQIFJIJQSBIB-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.53
Rot. Bonds5

About 3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide

3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide (PubChem CID 114484796) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
PubChem CID114484796
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
SMILESCNCC1CCCN(Cc2ccc(C(N)=O)cc2C)C1
InChIInChI=1S/C16H25N3O/c1-12-8-14(16(17)20)5-6-15(12)11-19-7-3-4-13(10-19)9-18-2/h5-6,8,13,18H,3-4,7,9-11H2,1-2H3,(H2,17,20)
InChIKeyDMIQIFJIJQSBIB-UHFFFAOYSA-N
XLogP1.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-3-methylbenzamide
CID 114484857
4-[(3-ethylpiperidin-1-yl)methyl]-3-methylbenzoic acid
CID 114485403
4-fluoro-3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzoic acid
CID 107452216
2-[1-[(4-carbamoyl-2-methylphenyl)methyl]azetidin-3-yl]acetic acid
CID 114484637
methyl 4-chloro-3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzoate
CID 120835692
4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3-methylbenzenecarbothioamide
CID 106586961
1-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 113499435
2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465497
5-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide
CID 80733651
1-[(4-carbamoyl-2-methylphenyl)methyl]azetidine-3-carboxylic acid
CID 114484630
3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62656715
4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide
CID 102985021

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide?
The IUPAC name of 3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide (CID 114484796) is 3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for 3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide?
The canonical SMILES for 3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide is CNCC1CCCN(Cc2ccc(C(N)=O)cc2C)C1.
What is the InChIKey of 3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide?
The InChIKey is DMIQIFJIJQSBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-8-14(16(17)20)5-6-15(12)11-19-7-3-4-13(10-19)9-18-2/h5-6,8,13,18H,3-4,7,9-11H2,1-2H3,(H2,17,20).
What are the key properties of 3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide?
3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide has a molecular weight of 275.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 114484796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).