3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide

C17H23ClN2O2 — CID 126834663

IUPAC3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C2CCOCC2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O2/c18-14-3-1-2-13(12-14)17(21)19-15-4-8-20(9-5-15)16-6-10-22-11-7-16/h1-3,12,15-16H,4-11H2,(H,19,21)
InChIKeyPMJYNGBJMKHYSV-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.71
Rot. Bonds3

About 3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide

3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide (PubChem CID 126834663) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
PubChem CID126834663
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C2CCOCC2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O2/c18-14-3-1-2-13(12-14)17(21)19-15-4-8-20(9-5-15)16-6-10-22-11-7-16/h1-3,12,15-16H,4-11H2,(H,19,21)
InChIKeyPMJYNGBJMKHYSV-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 118774564
3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide
CID 126831791
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
3-(oxan-4-ylcarbamoyl)benzoic acid
CID 43610555
3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
CID 60730541
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide
CID 126834660
3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide
CID 119846678
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 46463549
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea
CID 94862524
3-amino-N-(1-cyclohexylpiperidin-4-yl)benzamide
CID 119895195

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide?
The IUPAC name of 3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide (CID 126834663) is 3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide is O=C(NC1CCN(C2CCOCC2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide?
The InChIKey is PMJYNGBJMKHYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-14-3-1-2-13(12-14)17(21)19-15-4-8-20(9-5-15)16-6-10-22-11-7-16/h1-3,12,15-16H,4-11H2,(H,19,21).
What are the key properties of 3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide?
3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide has a molecular weight of 322.84 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 126834663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).