2,6-dichloro-N-[1-(oxetan-3-yl)piperidin-4-yl]benzamide

C15H18Cl2N2O2 — CID 155529341

IUPAC2,6-dichloro-N-[1-(oxetan-3-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C2COC2)CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H18Cl2N2O2/c16-12-2-1-3-13(17)14(12)15(20)18-10-4-6-19(7-5-10)11-8-21-9-11/h1-3,10-11H,4-9H2,(H,18,20)
InChIKeyLIOBKBDCBFQBBG-UHFFFAOYSA-N
MW329.23 g/mol
LogP2.59
Rot. Bonds3

About 2,6-dichloro-N-[1-(oxetan-3-yl)piperidin-4-yl]benzamide

2,6-dichloro-N-[1-(oxetan-3-yl)piperidin-4-yl]benzamide (PubChem CID 155529341) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(oxetan-3-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(oxetan-3-yl)piperidin-4-yl]benzamide
PubChem CID155529341
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name2,6-dichloro-N-[1-(oxetan-3-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C2COC2)CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H18Cl2N2O2/c16-12-2-1-3-13(17)14(12)15(20)18-10-4-6-19(7-5-10)11-8-21-9-11/h1-3,10-11H,4-9H2,(H,18,20)
InChIKeyLIOBKBDCBFQBBG-UHFFFAOYSA-N
XLogP2.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4235
4-Chloro-N-(3-(4-morpholinyl)propyl)benzamide
CID 65659
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CID 1069892
1-(2-Chloro-benzoyl)-piperazine
CID 2060585
4-(2-Chlorobenzoyl)-morpholine
CID 225451
2,6-Dichloro-N-[1-(1-methylethyl)-4-piperidinyl]benzamide
CID 25236799
2,6-dichloro-N-(2-oxo-1H-pyridin-4-yl)benzamide
CID 59618445
2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide
CID 567688
2-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 799090
ethyl 4-[(4-chlorobenzoyl)amino]tetrahydro-1(2H)-pyridinecarboxylate
CID 2815504
2,5-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 2162726
2,4-dichloro-N-[3-(morpholin-4-yl)propyl]benzamide
CID 2165284

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(oxetan-3-yl)piperidin-4-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[1-(oxetan-3-yl)piperidin-4-yl]benzamide (CID 155529341) is 2,6-dichloro-N-[1-(oxetan-3-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[1-(oxetan-3-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[1-(oxetan-3-yl)piperidin-4-yl]benzamide is O=C(NC1CCN(C2COC2)CC1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[1-(oxetan-3-yl)piperidin-4-yl]benzamide?
The InChIKey is LIOBKBDCBFQBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c16-12-2-1-3-13(17)14(12)15(20)18-10-4-6-19(7-5-10)11-8-21-9-11/h1-3,10-11H,4-9H2,(H,18,20).
What are the key properties of 2,6-dichloro-N-[1-(oxetan-3-yl)piperidin-4-yl]benzamide?
2,6-dichloro-N-[1-(oxetan-3-yl)piperidin-4-yl]benzamide has a molecular weight of 329.23 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(oxetan-3-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 155529341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).