4-(2-methylpiperidine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one

C20H28N2O2 — CID 46109946

IUPAC4-(2-methylpiperidine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCC(C)c1ccc(N2CC(C(=O)N3CCCCC3C)CC2=O)cc1
InChIInChI=1S/C20H28N2O2/c1-14(2)16-7-9-18(10-8-16)22-13-17(12-19(22)23)20(24)21-11-5-4-6-15(21)3/h7-10,14-15,17H,4-6,11-13H2,1-3H3
InChIKeyLPRVWZLSXYFTSV-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.56
Rot. Bonds3

About 4-(2-methylpiperidine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one

4-(2-methylpiperidine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one (PubChem CID 46109946) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-(2-methylpiperidine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-methylpiperidine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
PubChem CID46109946
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name4-(2-methylpiperidine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCC(C)c1ccc(N2CC(C(=O)N3CCCCC3C)CC2=O)cc1
InChIInChI=1S/C20H28N2O2/c1-14(2)16-7-9-18(10-8-16)22-13-17(12-19(22)23)20(24)21-11-5-4-6-15(21)3/h7-10,14-15,17H,4-6,11-13H2,1-3H3
InChIKeyLPRVWZLSXYFTSV-UHFFFAOYSA-N
XLogP3.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(2-methylpiperidine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one (CID 46109946) is 4-(2-methylpiperidine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2-methylpiperidine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2-methylpiperidine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one is CC(C)c1ccc(N2CC(C(=O)N3CCCCC3C)CC2=O)cc1.
What is the InChIKey of 4-(2-methylpiperidine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one?
The InChIKey is LPRVWZLSXYFTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14(2)16-7-9-18(10-8-16)22-13-17(12-19(22)23)20(24)21-11-5-4-6-15(21)3/h7-10,14-15,17H,4-6,11-13H2,1-3H3.
What are the key properties of 4-(2-methylpiperidine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one?
4-(2-methylpiperidine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one has a molecular weight of 328.46 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 46109946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).