5-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-1-methylpiperidin-2-one

C17H24N2O2 — CID 81140242

IUPAC5-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(NC2CC(C)(C)Oc3ccccc32)CCC1=O
InChIInChI=1S/C17H24N2O2/c1-17(2)10-14(13-6-4-5-7-15(13)21-17)18-12-8-9-16(20)19(3)11-12/h4-7,12,14,18H,8-11H2,1-3H3
InChIKeyYNSSOIBHLAIIBQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.50
Rot. Bonds2

About 5-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-1-methylpiperidin-2-one

5-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-1-methylpiperidin-2-one (PubChem CID 81140242) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-1-methylpiperidin-2-one
PubChem CID81140242
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name5-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(NC2CC(C)(C)Oc3ccccc32)CCC1=O
InChIInChI=1S/C17H24N2O2/c1-17(2)10-14(13-6-4-5-7-15(13)21-17)18-12-8-9-16(20)19(3)11-12/h4-7,12,14,18H,8-11H2,1-3H3
InChIKeyYNSSOIBHLAIIBQ-UHFFFAOYSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-1-methylpiperidin-2-one (CID 81140242) is 5-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-1-methylpiperidin-2-one is CN1CC(NC2CC(C)(C)Oc3ccccc32)CCC1=O.
What is the InChIKey of 5-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is YNSSOIBHLAIIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2)10-14(13-6-4-5-7-15(13)21-17)18-12-8-9-16(20)19(3)11-12/h4-7,12,14,18H,8-11H2,1-3H3.
What are the key properties of 5-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-1-methylpiperidin-2-one?
5-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 81140242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).