2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide

C16H24N2O3 — CID 114955616

IUPAC2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide
SMILESCOc1cccc(C(=O)NCC2CNCCC2C)c1OC
InChIInChI=1S/C16H24N2O3/c1-11-7-8-17-9-12(11)10-18-16(19)13-5-4-6-14(20-2)15(13)21-3/h4-6,11-12,17H,7-10H2,1-3H3,(H,18,19)
InChIKeyICJCCKFXGYFQPG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.68
Rot. Bonds5

About 2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide

2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide (PubChem CID 114955616) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide
PubChem CID114955616
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide
SMILESCOc1cccc(C(=O)NCC2CNCCC2C)c1OC
InChIInChI=1S/C16H24N2O3/c1-11-7-8-17-9-12(11)10-18-16(19)13-5-4-6-14(20-2)15(13)21-3/h4-6,11-12,17H,7-10H2,1-3H3,(H,18,19)
InChIKeyICJCCKFXGYFQPG-UHFFFAOYSA-N
XLogP1.68
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide
CID 114313919
2-hydroxy-5-methoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955702
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114699962
2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114699967
2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide
CID 120558034
2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535878
3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955769
4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271837
2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide
CID 114955654
N-[[1-(cyclohexylmethyl)piperidin-1-ium-4-yl]methyl]-2,3-dimethoxybenzamide
CID 7451565
3-(4-methoxyphenyl)-N-[(4-methylpiperidin-3-yl)methyl]propanamide
CID 114955725

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide (CID 114955616) is 2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide is COc1cccc(C(=O)NCC2CNCCC2C)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide?
The InChIKey is ICJCCKFXGYFQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-7-8-17-9-12(11)10-18-16(19)13-5-4-6-14(20-2)15(13)21-3/h4-6,11-12,17H,7-10H2,1-3H3,(H,18,19).
What are the key properties of 2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide?
2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide is sourced from PubChem (CID 114955616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).