2,6-dichloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide

C16H22Cl2N2O — CID 155516318

IUPAC2,6-dichloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCC(C)N1CCC(N(C)C(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H22Cl2N2O/c1-11(2)20-9-7-12(8-10-20)19(3)16(21)15-13(17)5-4-6-14(15)18/h4-6,11-12H,7-10H2,1-3H3
InChIKeyZIYSPXUFOGCMBK-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.94
Rot. Bonds3

About 2,6-dichloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide

2,6-dichloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide (PubChem CID 155516318) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 2,6-dichloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
PubChem CID155516318
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name2,6-dichloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCC(C)N1CCC(N(C)C(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H22Cl2N2O/c1-11(2)20-9-7-12(8-10-20)19(3)16(21)15-13(17)5-4-6-14(15)18/h4-6,11-12H,7-10H2,1-3H3
InChIKeyZIYSPXUFOGCMBK-UHFFFAOYSA-N
XLogP3.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide (CID 155516318) is 2,6-dichloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide is CC(C)N1CCC(N(C)C(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 2,6-dichloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The InChIKey is ZIYSPXUFOGCMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-11(2)20-9-7-12(8-10-20)19(3)16(21)15-13(17)5-4-6-14(15)18/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of 2,6-dichloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
2,6-dichloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide has a molecular weight of 329.27 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 155516318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).