3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide

C18H26N2O2 — CID 110819611

IUPAC3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
SMILESCc1cccc(C(=O)NC2CCN(C(=O)CC(C)C)CC2)c1
InChIInChI=1S/C18H26N2O2/c1-13(2)11-17(21)20-9-7-16(8-10-20)19-18(22)15-6-4-5-14(3)12-15/h4-6,12-13,16H,7-11H2,1-3H3,(H,19,22)
InChIKeyQDSGKPLZVMUOSS-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.76
Rot. Bonds4

About 3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide

3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide (PubChem CID 110819611) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
PubChem CID110819611
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
SMILESCc1cccc(C(=O)NC2CCN(C(=O)CC(C)C)CC2)c1
InChIInChI=1S/C18H26N2O2/c1-13(2)11-17(21)20-9-7-16(8-10-20)19-18(22)15-6-4-5-14(3)12-15/h4-6,12-13,16H,7-11H2,1-3H3,(H,19,22)
InChIKeyQDSGKPLZVMUOSS-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 51093731
3-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 46049142
3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819666
methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate
CID 110819811
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide
CID 110819857
3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
CID 110820695
3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108555310
N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide
CID 47073768
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108555362
2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819616
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555351

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide (CID 110819611) is 3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide is Cc1cccc(C(=O)NC2CCN(C(=O)CC(C)C)CC2)c1.
What is the InChIKey of 3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide?
The InChIKey is QDSGKPLZVMUOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(2)11-17(21)20-9-7-16(8-10-20)19-18(22)15-6-4-5-14(3)12-15/h4-6,12-13,16H,7-11H2,1-3H3,(H,19,22).
What are the key properties of 3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide?
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide has a molecular weight of 302.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 110819611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).