2-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide

C15H19ClN2O2 — CID 7964060

IUPAC2-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
SMILESO=C(NCCC(=O)N1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O2/c16-13-7-3-2-6-12(13)15(20)17-9-8-14(19)18-10-4-1-5-11-18/h2-3,6-7H,1,4-5,8-11H2,(H,17,20)
InChIKeyOWYYWQNAAVHTME-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.47
Rot. Bonds4

About 2-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide

2-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide (PubChem CID 7964060) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
PubChem CID7964060
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
SMILESO=C(NCCC(=O)N1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O2/c16-13-7-3-2-6-12(13)15(20)17-9-8-14(19)18-10-4-1-5-11-18/h2-3,6-7H,1,4-5,8-11H2,(H,17,20)
InChIKeyOWYYWQNAAVHTME-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.47
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-oxo-3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 2-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide (CID 7964060) is 2-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 2-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 2-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide is O=C(NCCC(=O)N1CCCCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide?
The InChIKey is OWYYWQNAAVHTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-13-7-3-2-6-12(13)15(20)17-9-8-14(19)18-10-4-1-5-11-18/h2-3,6-7H,1,4-5,8-11H2,(H,17,20).
What are the key properties of 2-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide?
2-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide has a molecular weight of 294.78 g/mol, XLogP of 2.47, 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-oxo-3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 7964060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).