N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide

C19H28N2O3 — CID 110822246

IUPACN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)CC(C)(C)C)CC2)c1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)13-17(22)21-10-8-15(9-11-21)20-18(23)14-6-5-7-16(12-14)24-4/h5-7,12,15H,8-11,13H2,1-4H3,(H,20,23)
InChIKeyJZIHTSOAUAWBNU-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.85
Rot. Bonds4

About N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide

N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide (PubChem CID 110822246) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide
PubChem CID110822246
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)CC(C)(C)C)CC2)c1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)13-17(22)21-10-8-15(9-11-21)20-18(23)14-6-5-7-16(12-14)24-4/h5-7,12,15H,8-11,13H2,1-4H3,(H,20,23)
InChIKeyJZIHTSOAUAWBNU-UHFFFAOYSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110819864
3-methoxy-N-(1-pentanoylpiperidin-4-yl)benzamide
CID 110819514
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide
CID 110822281
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559154
3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
CID 110822294
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide
CID 108550355
3-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550372
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-methoxybenzamide
CID 108550337
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
CID 108559223

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide (CID 110822246) is N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC2CCN(C(=O)CC(C)(C)C)CC2)c1.
What is the InChIKey of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide?
The InChIKey is JZIHTSOAUAWBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(2,3)13-17(22)21-10-8-15(9-11-21)20-18(23)14-6-5-7-16(12-14)24-4/h5-7,12,15H,8-11,13H2,1-4H3,(H,20,23).
What are the key properties of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide?
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide has a molecular weight of 332.44 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 110822246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).