3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide

C16H25N3O — CID 114955769

IUPAC3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide
SMILESCC1CCNCC1CNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C16H25N3O/c1-12-7-8-17-10-14(12)11-18-16(20)13-5-4-6-15(9-13)19(2)3/h4-6,9,12,14,17H,7-8,10-11H2,1-3H3,(H,18,20)
InChIKeyJIUPGYODLUDURO-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.73
Rot. Bonds4

About 3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide

3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide (PubChem CID 114955769) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide
PubChem CID114955769
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide
SMILESCC1CCNCC1CNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C16H25N3O/c1-12-7-8-17-10-14(12)11-18-16(20)13-5-4-6-15(9-13)19(2)3/h4-6,9,12,14,17H,7-8,10-11H2,1-3H3,(H,18,20)
InChIKeyJIUPGYODLUDURO-UHFFFAOYSA-N
XLogP1.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955798
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-(dimethylamino)benzamide
CID 114317430
3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide
CID 104982407
N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide
CID 66006240
3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide
CID 94200759
3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide
CID 47179453
3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114700030
1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide
CID 103117492
2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide
CID 114955654
3-(dimethylamino)-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
CID 82177202
1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea
CID 114955836
N-[(3-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 114699978

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide (CID 114955769) is 3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide is CC1CCNCC1CNC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide?
The InChIKey is JIUPGYODLUDURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-7-8-17-10-14(12)11-18-16(20)13-5-4-6-15(9-13)19(2)3/h4-6,9,12,14,17H,7-8,10-11H2,1-3H3,(H,18,20).
What are the key properties of 3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide?
3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide has a molecular weight of 275.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide is sourced from PubChem (CID 114955769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).