3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide

C17H22Cl2N2O2 — CID 46476936

IUPAC3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H22Cl2N2O2/c1-17(2,3)16(23)21-6-4-14(5-7-21)20-15(22)11-8-12(18)10-13(19)9-11/h8-10,14H,4-7H2,1-3H3,(H,20,22)
InChIKeyMEFFOJACPSWXIY-UHFFFAOYSA-N
MW357.28 g/mol
LogP3.76
Rot. Bonds2

About 3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide

3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide (PubChem CID 46476936) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is 3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide
PubChem CID46476936
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC Name3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H22Cl2N2O2/c1-17(2,3)16(23)21-6-4-14(5-7-21)20-15(22)11-8-12(18)10-13(19)9-11/h8-10,14H,4-7H2,1-3H3,(H,20,22)
InChIKeyMEFFOJACPSWXIY-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide
CID 110819857
5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552297
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110819864
2-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-3-carboxamide
CID 106686097
2-(2,4-dichlorophenyl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 46469925
1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113080329
N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide
CID 61042495
2-(4-chlorophenoxy)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 46467019
3-chloro-N-cyclopentyl-5-methylbenzamide
CID 80948177
3-chloro-N-[(3R)-1-propanoylpyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
CID 99707619
3-bromo-5-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 103826480
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 67007568

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide (CID 46476936) is 3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide is CC(C)(C)C(=O)N1CCC(NC(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide?
The InChIKey is MEFFOJACPSWXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c1-17(2,3)16(23)21-6-4-14(5-7-21)20-15(22)11-8-12(18)10-13(19)9-11/h8-10,14H,4-7H2,1-3H3,(H,20,22).
What are the key properties of 3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide?
3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide has a molecular weight of 357.28 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 46476936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).