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

C18H24Cl2N2O2 — CID 108559223

IUPAC3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
SMILESCC(C)(C)CC(=O)N1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H24Cl2N2O2/c1-18(2,3)11-16(23)22-8-6-13(7-9-22)21-17(24)12-4-5-14(19)15(20)10-12/h4-5,10,13H,6-9,11H2,1-3H3,(H,21,24)
InChIKeyMCUXFFHDJYSTNE-UHFFFAOYSA-N
MW371.31 g/mol
LogP4.15
Rot. Bonds3

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

3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide (PubChem CID 108559223) has the molecular formula C18H24Cl2N2O2 and a molecular weight of 371.31 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
PubChem CID108559223
Molecular FormulaC18H24Cl2N2O2
Molecular Weight371.31 g/mol
Exact Mass370.12
IUPAC Name3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
SMILESCC(C)(C)CC(=O)N1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H24Cl2N2O2/c1-18(2,3)11-16(23)22-8-6-13(7-9-22)21-17(24)12-4-5-14(19)15(20)10-12/h4-5,10,13H,6-9,11H2,1-3H3,(H,21,24)
InChIKeyMCUXFFHDJYSTNE-UHFFFAOYSA-N
XLogP4.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110822246
3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide
CID 108549019
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide
CID 108560513
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558128
3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
CID 110866994
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
3,4-dichloro-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549016
N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide
CID 103841550
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822238
3,4-dichloro-N-(4-oxocyclohexyl)benzamide
CID 43652866

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide (CID 108559223) is 3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide is CC(C)(C)CC(=O)N1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide?
The InChIKey is MCUXFFHDJYSTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O2/c1-18(2,3)11-16(23)22-8-6-13(7-9-22)21-17(24)12-4-5-14(19)15(20)10-12/h4-5,10,13H,6-9,11H2,1-3H3,(H,21,24).
What are the key properties of 3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide?
3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide has a molecular weight of 371.31 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108559223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).