3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide

C16H25N3O — CID 120575680

IUPAC3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1cccc(CN(C)C)c1
InChIInChI=1S/C16H25N3O/c1-12-15(8-5-9-17-12)18-16(20)14-7-4-6-13(10-14)11-19(2)3/h4,6-7,10,12,15,17H,5,8-9,11H2,1-3H3,(H,18,20)
InChIKeyOCCMBCUPYKPUEL-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.62
Rot. Bonds4

About 3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide

3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 120575680) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID120575680
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1cccc(CN(C)C)c1
InChIInChI=1S/C16H25N3O/c1-12-15(8-5-9-17-12)18-16(20)14-7-4-6-13(10-14)11-19(2)3/h4,6-7,10,12,15,17H,5,8-9,11H2,1-3H3,(H,18,20)
InChIKeyOCCMBCUPYKPUEL-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-3-yl)-3-(methylsulfinylmethyl)benzamide;hydrochloride
CID 120576039
3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
CID 124515685
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
CID 79041877
N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 120574688
3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574123
3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574822
3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 103209748
N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 120575116
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120573777
3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575414

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide (CID 120575680) is 3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide is CC1NCCCC1NC(=O)c1cccc(CN(C)C)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is OCCMBCUPYKPUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-15(8-5-9-17-12)18-16(20)14-7-4-6-13(10-14)11-19(2)3/h4,6-7,10,12,15,17H,5,8-9,11H2,1-3H3,(H,18,20).
What are the key properties of 3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide?
3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide has a molecular weight of 275.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 120575680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).