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

C19H31N3O — CID 87014882

IUPAC3-[[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methyl]benzamide
SMILESCCCCN(C)CC1CCN(Cc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C19H31N3O/c1-3-4-10-21(2)14-16-8-11-22(12-9-16)15-17-6-5-7-18(13-17)19(20)23/h5-7,13,16H,3-4,8-12,14-15H2,1-2H3,(H2,20,23)
InChIKeyPHLVFWLYVCKBKK-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.73
Rot. Bonds8

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

3-[[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methyl]benzamide (PubChem CID 87014882) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 3-[[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methyl]benzamide
PubChem CID87014882
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name3-[[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methyl]benzamide
SMILESCCCCN(C)CC1CCN(Cc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C19H31N3O/c1-3-4-10-21(2)14-16-8-11-22(12-9-16)15-17-6-5-7-18(13-17)19(20)23/h5-7,13,16H,3-4,8-12,14-15H2,1-2H3,(H2,20,23)
InChIKeyPHLVFWLYVCKBKK-UHFFFAOYSA-N
XLogP2.73
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide
CID 154744472
3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76910073
3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 119917602
3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide
CID 63577694
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60505380
N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine
CID 60505494
3-[[4-(2-ethoxy-2-oxoethyl)piperidin-1-yl]methyl]benzoic acid
CID 122028667
3-[[1-[3-[ethyl(methyl)amino]propanoyl]pyrrolidin-3-yl]methyl]benzamide
CID 86283537
3-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid
CID 119123946
3-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 24711714
1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentan-1-one
CID 143584979
3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride
CID 119927575

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methyl]benzamide?
The IUPAC name of 3-[[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methyl]benzamide (CID 87014882) is 3-[[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methyl]benzamide is CCCCN(C)CC1CCN(Cc2cccc(C(N)=O)c2)CC1.
What is the InChIKey of 3-[[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methyl]benzamide?
The InChIKey is PHLVFWLYVCKBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-3-4-10-21(2)14-16-8-11-22(12-9-16)15-17-6-5-7-18(13-17)19(20)23/h5-7,13,16H,3-4,8-12,14-15H2,1-2H3,(H2,20,23).
What are the key properties of 3-[[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methyl]benzamide?
3-[[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methyl]benzamide has a molecular weight of 317.48 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 87014882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).