1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide

C18H32N2O3 — CID 45195449

IUPAC1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)(CO)CNC(=O)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C18H32N2O3/c1-18(2,13-21)12-19-17(23)14-9-10-16(22)20(11-14)15-7-5-3-4-6-8-15/h14-15,21H,3-13H2,1-2H3,(H,19,23)
InChIKeyWKYFZFMVFDEMLD-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.08
Rot. Bonds5

About 1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide

1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 45195449) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID45195449
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)(CO)CNC(=O)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C18H32N2O3/c1-18(2,13-21)12-19-17(23)14-9-10-16(22)20(11-14)15-7-5-3-4-6-8-15/h14-15,21H,3-13H2,1-2H3,(H,19,23)
InChIKeyWKYFZFMVFDEMLD-UHFFFAOYSA-N
XLogP2.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide (CID 45195449) is 1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide is CC(C)(CO)CNC(=O)C1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is WKYFZFMVFDEMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-18(2,13-21)12-19-17(23)14-9-10-16(22)20(11-14)15-7-5-3-4-6-8-15/h14-15,21H,3-13H2,1-2H3,(H,19,23).
What are the key properties of 1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide?
1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45195449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).