3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide

C16H22N2O3 — CID 112995627

IUPAC3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C16H22N2O3/c1-12-5-4-8-18(11-12)15(19)10-17-16(20)13-6-3-7-14(9-13)21-2/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3,(H,17,20)
InChIKeySJWQWAXHAYKYBD-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.68
Rot. Bonds4

About 3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide

3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide (PubChem CID 112995627) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide
PubChem CID112995627
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C16H22N2O3/c1-12-5-4-8-18(11-12)15(19)10-17-16(20)13-6-3-7-14(9-13)21-2/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3,(H,17,20)
InChIKeySJWQWAXHAYKYBD-UHFFFAOYSA-N
XLogP1.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117490
3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 90586455
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 16536941
3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 90616430
3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788846
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882223
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-methoxybenzamide
CID 110370967
3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 17018957
2-(3,5-dimethoxyanilino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 51726355
3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9152898
N-[2-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methoxybenzamide
CID 90594984

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide (CID 112995627) is 3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide is COc1cccc(C(=O)NCC(=O)N2CCCC(C)C2)c1.
What is the InChIKey of 3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is SJWQWAXHAYKYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-5-4-8-18(11-12)15(19)10-17-16(20)13-6-3-7-14(9-13)21-2/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3,(H,17,20).
What are the key properties of 3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 112995627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).