3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide

C19H28N2O4 — CID 110349066

IUPAC3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C(=O)N2CCCCC2)C(C)C)cc1OC
InChIInChI=1S/C19H28N2O4/c1-13(2)17(19(23)21-10-6-5-7-11-21)20-18(22)14-8-9-15(24-3)16(12-14)25-4/h8-9,12-13,17H,5-7,10-11H2,1-4H3,(H,20,22)/t17-/m0/s1
InChIKeyJXMNHQAEAMRYCR-KRWDZBQOSA-N
MW348.44 g/mol
LogP2.47
Rot. Bonds6

About 3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide

3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide (PubChem CID 110349066) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
PubChem CID110349066
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C(=O)N2CCCCC2)C(C)C)cc1OC
InChIInChI=1S/C19H28N2O4/c1-13(2)17(19(23)21-10-6-5-7-11-21)20-18(22)14-8-9-15(24-3)16(12-14)25-4/h8-9,12-13,17H,5-7,10-11H2,1-4H3,(H,20,22)/t17-/m0/s1
InChIKeyJXMNHQAEAMRYCR-KRWDZBQOSA-N
XLogP2.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 7997539
2,6-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzamide
CID 110348628
2-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide
CID 110349084
N-[1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 51147508
3-hydroxy-4-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 115674973
N-[(2R)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 7096893
N-[(2S)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 32999744
N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
CID 9115909
3-amino-4-methoxy-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 69142972
3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 42702287
N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide;hydrochloride
CID 119416007
3,4-dimethoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
CID 110285675

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide (CID 110349066) is 3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide is COc1ccc(C(=O)N[C@H](C(=O)N2CCCCC2)C(C)C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide?
The InChIKey is JXMNHQAEAMRYCR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13(2)17(19(23)21-10-6-5-7-11-21)20-18(22)14-8-9-15(24-3)16(12-14)25-4/h8-9,12-13,17H,5-7,10-11H2,1-4H3,(H,20,22)/t17-/m0/s1.
What are the key properties of 3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide?
3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide has a molecular weight of 348.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide is sourced from PubChem (CID 110349066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).