5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-methylpiperidin-2-one

C15H19ClN2O — CID 81339258

IUPAC5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(NC2Cc3ccc(Cl)cc3C2)CCC1=O
InChIInChI=1S/C15H19ClN2O/c1-18-9-13(4-5-15(18)19)17-14-7-10-2-3-12(16)6-11(10)8-14/h2-3,6,13-14,17H,4-5,7-9H2,1H3
InChIKeyHVZYYNQWNHFABZ-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.02
Rot. Bonds2

About 5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-methylpiperidin-2-one

5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-methylpiperidin-2-one (PubChem CID 81339258) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-methylpiperidin-2-one
PubChem CID81339258
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(NC2Cc3ccc(Cl)cc3C2)CCC1=O
InChIInChI=1S/C15H19ClN2O/c1-18-9-13(4-5-15(18)19)17-14-7-10-2-3-12(16)6-11(10)8-14/h2-3,6,13-14,17H,4-5,7-9H2,1H3
InChIKeyHVZYYNQWNHFABZ-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-methylpiperidin-2-one (CID 81339258) is 5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-methylpiperidin-2-one is CN1CC(NC2Cc3ccc(Cl)cc3C2)CCC1=O.
What is the InChIKey of 5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is HVZYYNQWNHFABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-18-9-13(4-5-15(18)19)17-14-7-10-2-3-12(16)6-11(10)8-14/h2-3,6,13-14,17H,4-5,7-9H2,1H3.
What are the key properties of 5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-methylpiperidin-2-one?
5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 278.78 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 81339258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).