2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide

C16H22Cl2N2O — CID 106626462

IUPAC2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CCCCN1)C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H22Cl2N2O/c1-11(2)20(10-12-6-3-4-9-19-12)16(21)15-13(17)7-5-8-14(15)18/h5,7-8,11-12,19H,3-4,6,9-10H2,1-2H3
InChIKeyJNBBYFBXQHZLHE-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.99
Rot. Bonds4

About 2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide

2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide (PubChem CID 106626462) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
PubChem CID106626462
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CCCCN1)C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H22Cl2N2O/c1-11(2)20(10-12-6-3-4-9-19-12)16(21)15-13(17)7-5-8-14(15)18/h5,7-8,11-12,19H,3-4,6,9-10H2,1-2H3
InChIKeyJNBBYFBXQHZLHE-UHFFFAOYSA-N
XLogP3.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610027
2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626455
2-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609545
3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626553
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626378
3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626473
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622184
2-(4-chlorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626635
2-phenyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626684
3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106609608
3-chloro-4-fluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609627
2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609550

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide (CID 106626462) is 2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide is CC(C)N(CC1CCCCN1)C(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
The InChIKey is JNBBYFBXQHZLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-11(2)20(10-12-6-3-4-9-19-12)16(21)15-13(17)7-5-8-14(15)18/h5,7-8,11-12,19H,3-4,6,9-10H2,1-2H3.
What are the key properties of 2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide has a molecular weight of 329.27 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 106626462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).