2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide

C16H24N2O3 — CID 114699962

IUPAC2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)NCC2CCNCC2C)c1
InChIInChI=1S/C16H24N2O3/c1-11-9-17-7-6-12(11)10-18-16(19)14-8-13(20-2)4-5-15(14)21-3/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyNVURKEJDCFLWPM-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.68
Rot. Bonds5

About 2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide

2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide (PubChem CID 114699962) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
PubChem CID114699962
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)NCC2CCNCC2C)c1
InChIInChI=1S/C16H24N2O3/c1-11-9-17-7-6-12(11)10-18-16(19)14-8-13(20-2)4-5-15(14)21-3/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyNVURKEJDCFLWPM-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

2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 102882405
2-hydroxy-5-methoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955702
2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535388
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide
CID 114306706
2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114699967
2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide
CID 124516888
2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955616
2-amino-3,5-dimethoxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107416343
2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 23390396
2,4-dimethoxy-N-(4-methylpiperidin-3-yl)benzamide
CID 63326134
2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551921
N-[(3-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 114699978

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide (CID 114699962) is 2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide is COc1ccc(OC)c(C(=O)NCC2CCNCC2C)c1.
What is the InChIKey of 2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide?
The InChIKey is NVURKEJDCFLWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-9-17-7-6-12(11)10-18-16(19)14-8-13(20-2)4-5-15(14)21-3/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide?
2,5-dimethoxy-N-[(3-methylpiperidin-4-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 2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 114699962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).