2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide

C19H28N2O4 — CID 110819616

IUPAC2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NC1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C19H28N2O4/c1-13(2)12-17(22)21-10-8-14(9-11-21)20-19(23)18-15(24-3)6-5-7-16(18)25-4/h5-7,13-14H,8-12H2,1-4H3,(H,20,23)
InChIKeyACHKJIJTRBQQCY-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.47
Rot. Bonds6

About 2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide

2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide (PubChem CID 110819616) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
PubChem CID110819616
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NC1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C19H28N2O4/c1-13(2)12-17(22)21-10-8-14(9-11-21)20-19(23)18-15(24-3)6-5-7-16(18)25-4/h5-7,13-14H,8-12H2,1-4H3,(H,20,23)
InChIKeyACHKJIJTRBQQCY-UHFFFAOYSA-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

N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549752
2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 110751950
1-(2-methoxyphenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 139000739
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549791
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108549795
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549766
3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819666
2,6-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653176
N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide
CID 47073768
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 51093731

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide (CID 110819616) is 2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide is COc1cccc(OC)c1C(=O)NC1CCN(C(=O)CC(C)C)CC1.
What is the InChIKey of 2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide?
The InChIKey is ACHKJIJTRBQQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13(2)12-17(22)21-10-8-14(9-11-21)20-19(23)18-15(24-3)6-5-7-16(18)25-4/h5-7,13-14H,8-12H2,1-4H3,(H,20,23).
What are the key properties of 2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide?
2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-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 2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 110819616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).