5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one

C24H32N2O2 — CID 24791508

IUPAC5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one
SMILESC=CCC1(CC=C)CCCN1C(=O)C1CCC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C24H32N2O2/c1-3-14-24(15-4-2)16-8-17-26(24)23(28)21-11-12-22(27)25(19-21)18-13-20-9-6-5-7-10-20/h3-7,9-10,21H,1-2,8,11-19H2
InChIKeyHYMIGUGXPIMTKG-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.98
Rot. Bonds8

About 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one

5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one (PubChem CID 24791508) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one.

Molecular Properties

Compound Name5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one
PubChem CID24791508
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one
SMILESC=CCC1(CC=C)CCCN1C(=O)C1CCC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C24H32N2O2/c1-3-14-24(15-4-2)16-8-17-26(24)23(28)21-11-12-22(27)25(19-21)18-13-20-9-6-5-7-10-20/h3-7,9-10,21H,1-2,8,11-19H2
InChIKeyHYMIGUGXPIMTKG-UHFFFAOYSA-N
XLogP3.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one?
The IUPAC name of 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one (CID 24791508) is 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one.
What is the SMILES notation for 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one?
The canonical SMILES for 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one is C=CCC1(CC=C)CCCN1C(=O)C1CCC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one?
The InChIKey is HYMIGUGXPIMTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-3-14-24(15-4-2)16-8-17-26(24)23(28)21-11-12-22(27)25(19-21)18-13-20-9-6-5-7-10-20/h3-7,9-10,21H,1-2,8,11-19H2.
What are the key properties of 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one?
5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one has a molecular weight of 380.53 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one is sourced from PubChem (CID 24791508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).