3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide

C17H27N3O — CID 106637286

IUPAC3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide
SMILESCC(C)N(Cc1cccc(C(N)=O)c1)CC1CCCNC1
InChIInChI=1S/C17H27N3O/c1-13(2)20(12-15-6-4-8-19-10-15)11-14-5-3-7-16(9-14)17(18)21/h3,5,7,9,13,15,19H,4,6,8,10-12H2,1-2H3,(H2,18,21)
InChIKeyYJSHEQCEEBFHPQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.00
Rot. Bonds6

About 3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide

3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide (PubChem CID 106637286) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide
PubChem CID106637286
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide
SMILESCC(C)N(Cc1cccc(C(N)=O)c1)CC1CCCNC1
InChIInChI=1S/C17H27N3O/c1-13(2)20(12-15-6-4-8-19-10-15)11-14-5-3-7-16(9-14)17(18)21/h3,5,7,9,13,15,19H,4,6,8,10-12H2,1-2H3,(H2,18,21)
InChIKeyYJSHEQCEEBFHPQ-UHFFFAOYSA-N
XLogP2.00
TPSA58.36 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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(piperidin-3-ylmethylamino)methyl]benzamide
CID 80553685
3-(piperidin-3-ylmethoxymethyl)benzamide
CID 62340748
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637480
2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106624038
N-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624214
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
CID 94408590
N-[(4-methoxy-3-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624044
benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96555678
3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
CID 106628943
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124
3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide
CID 106614911
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide
CID 106640797

Frequently Asked Questions

What is the IUPAC name of 3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide?
The IUPAC name of 3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide (CID 106637286) is 3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide?
The canonical SMILES for 3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide is CC(C)N(Cc1cccc(C(N)=O)c1)CC1CCCNC1.
What is the InChIKey of 3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide?
The InChIKey is YJSHEQCEEBFHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)20(12-15-6-4-8-19-10-15)11-14-5-3-7-16(9-14)17(18)21/h3,5,7,9,13,15,19H,4,6,8,10-12H2,1-2H3,(H2,18,21).
What are the key properties of 3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide?
3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide is sourced from PubChem (CID 106637286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).