1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one

C17H31N3O — CID 45197066

IUPAC1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one
SMILESCN1CCC(NC2CC(=O)N(C3CCCCCC3)C2)CC1
InChIInChI=1S/C17H31N3O/c1-19-10-8-14(9-11-19)18-15-12-17(21)20(13-15)16-6-4-2-3-5-7-16/h14-16,18H,2-13H2,1H3
InChIKeyOGMSHHZXRPJFSN-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.99
Rot. Bonds3

About 1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one

1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 45197066) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one
PubChem CID45197066
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one
SMILESCN1CCC(NC2CC(=O)N(C3CCCCCC3)C2)CC1
InChIInChI=1S/C17H31N3O/c1-19-10-8-14(9-11-19)18-15-12-17(21)20(13-15)16-6-4-2-3-5-7-16/h14-16,18H,2-13H2,1H3
InChIKeyOGMSHHZXRPJFSN-UHFFFAOYSA-N
XLogP1.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one (CID 45197066) is 1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one is CN1CCC(NC2CC(=O)N(C3CCCCCC3)C2)CC1.
What is the InChIKey of 1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is OGMSHHZXRPJFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-19-10-8-14(9-11-19)18-15-12-17(21)20(13-15)16-6-4-2-3-5-7-16/h14-16,18H,2-13H2,1H3.
What are the key properties of 1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one?
1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 293.45 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 45197066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).