N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide

C19H28N2O3 — CID 110820045

IUPACN-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)c2ccccc2OC)CC1
InChIInChI=1S/C19H28N2O3/c1-4-14(5-2)19(23)21-12-10-15(11-13-21)20-18(22)16-8-6-7-9-17(16)24-3/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,20,22)
InChIKeyOKGZTQBHLVLJDJ-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.85
Rot. Bonds6

About N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide

N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide (PubChem CID 110820045) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide
PubChem CID110820045
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)c2ccccc2OC)CC1
InChIInChI=1S/C19H28N2O3/c1-4-14(5-2)19(23)21-12-10-15(11-13-21)20-18(22)16-8-6-7-9-17(16)24-3/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,20,22)
InChIKeyOKGZTQBHLVLJDJ-UHFFFAOYSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
2-methoxy-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549225
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 55949750
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide
CID 110871467
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108559283
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108549239
2-methoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549234
2-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549263
2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 108554619
2-methoxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653454
2-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549236
2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 5173361

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide (CID 110820045) is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide is CCC(CC)C(=O)N1CCC(NC(=O)c2ccccc2OC)CC1.
What is the InChIKey of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide?
The InChIKey is OKGZTQBHLVLJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-14(5-2)19(23)21-12-10-15(11-13-21)20-18(22)16-8-6-7-9-17(16)24-3/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide?
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide has a molecular weight of 332.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 110820045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).