2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]benzamide

C17H23ClN2O2 — CID 24818329

IUPAC2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]benzamide
SMILESCC1CC(C)CN(C(=O)CCNC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C17H23ClN2O2/c1-12-9-13(2)11-20(10-12)16(21)7-8-19-17(22)14-5-3-4-6-15(14)18/h3-6,12-13H,7-11H2,1-2H3,(H,19,22)
InChIKeyYKXHFMRTLRAQCM-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.96
Rot. Bonds4

About 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]benzamide

2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]benzamide (PubChem CID 24818329) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]benzamide
PubChem CID24818329
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]benzamide
SMILESCC1CC(C)CN(C(=O)CCNC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C17H23ClN2O2/c1-12-9-13(2)11-20(10-12)16(21)7-8-19-17(22)14-5-3-4-6-15(14)18/h3-6,12-13H,7-11H2,1-2H3,(H,19,22)
InChIKeyYKXHFMRTLRAQCM-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]benzamide (CID 24818329) is 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]benzamide is CC1CC(C)CN(C(=O)CCNC(=O)c2ccccc2Cl)C1.
What is the InChIKey of 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]benzamide?
The InChIKey is YKXHFMRTLRAQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-12-9-13(2)11-20(10-12)16(21)7-8-19-17(22)14-5-3-4-6-15(14)18/h3-6,12-13H,7-11H2,1-2H3,(H,19,22).
What are the key properties of 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]benzamide?
2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]benzamide has a molecular weight of 322.84 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]benzamide is sourced from PubChem (CID 24818329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).