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

C19H29N3O2 — CID 110819666

IUPAC3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C19H29N3O2/c1-14(2)12-18(23)22-10-8-16(9-11-22)20-19(24)15-6-5-7-17(13-15)21(3)4/h5-7,13-14,16H,8-12H2,1-4H3,(H,20,24)
InChIKeyZHLCLXBNXISAIQ-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.52
Rot. Bonds5

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

3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide (PubChem CID 110819666) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
PubChem CID110819666
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C19H29N3O2/c1-14(2)12-18(23)22-10-8-16(9-11-22)20-19(24)15-6-5-7-17(13-15)21(3)4/h5-7,13-14,16H,8-12H2,1-4H3,(H,20,24)
InChIKeyZHLCLXBNXISAIQ-UHFFFAOYSA-N
XLogP2.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
CID 110822294
3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 51093731
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375158
N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide
CID 47073768
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide
CID 110821528
3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide
CID 96997991
2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819616
3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960952
N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 49492924
3-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 46049142

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide (CID 110819666) is 3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide is CC(C)CC(=O)N1CCC(NC(=O)c2cccc(N(C)C)c2)CC1.
What is the InChIKey of 3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide?
The InChIKey is ZHLCLXBNXISAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(2)12-18(23)22-10-8-16(9-11-22)20-19(24)15-6-5-7-17(13-15)21(3)4/h5-7,13-14,16H,8-12H2,1-4H3,(H,20,24).
What are the key properties of 3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide?
3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide has a molecular weight of 331.46 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 110819666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).