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

C20H31N3O2 — CID 110822294

IUPAC3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
SMILESCN(C)c1cccc(C(=O)NC2CCN(C(=O)CC(C)(C)C)CC2)c1
InChIInChI=1S/C20H31N3O2/c1-20(2,3)14-18(24)23-11-9-16(10-12-23)21-19(25)15-7-6-8-17(13-15)22(4)5/h6-8,13,16H,9-12,14H2,1-5H3,(H,21,25)
InChIKeyFSIMSCYSOPVJCO-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.91
Rot. Bonds4

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

3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide (PubChem CID 110822294) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
PubChem CID110822294
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
SMILESCN(C)c1cccc(C(=O)NC2CCN(C(=O)CC(C)(C)C)CC2)c1
InChIInChI=1S/C20H31N3O2/c1-20(2,3)14-18(24)23-11-9-16(10-12-23)21-19(25)15-7-6-8-17(13-15)22(4)5/h6-8,13,16H,9-12,14H2,1-5H3,(H,21,25)
InChIKeyFSIMSCYSOPVJCO-UHFFFAOYSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819666
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110822246
3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
CID 108559223
3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375158
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559154
3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide
CID 96997991
1-tert-butyl-3-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]urea
CID 110821537
3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960952
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide
CID 110821528
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822238
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide
CID 108560513
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
CID 110822276

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide (CID 110822294) is 3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide is CN(C)c1cccc(C(=O)NC2CCN(C(=O)CC(C)(C)C)CC2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide?
The InChIKey is FSIMSCYSOPVJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-20(2,3)14-18(24)23-11-9-16(10-12-23)21-19(25)15-7-6-8-17(13-15)22(4)5/h6-8,13,16H,9-12,14H2,1-5H3,(H,21,25).
What are the key properties of 3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide?
3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide has a molecular weight of 345.49 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 110822294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).