4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

C20H28N2O3 — CID 5084933

IUPAC4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2CC(C(=O)N3CC(C)CC(C)C3)CC2=O)cc1
InChIInChI=1S/C20H28N2O3/c1-14-8-15(2)11-22(10-14)20(24)17-9-19(23)21(13-17)12-16-4-6-18(25-3)7-5-16/h4-7,14-15,17H,8-13H2,1-3H3
InChIKeyAFWUPSQHQFQRQQ-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.55
Rot. Bonds4

About 4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 5084933) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID5084933
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2CC(C(=O)N3CC(C)CC(C)C3)CC2=O)cc1
InChIInChI=1S/C20H28N2O3/c1-14-8-15(2)11-22(10-14)20(24)17-9-19(23)21(13-17)12-16-4-6-18(25-3)7-5-16/h4-7,14-15,17H,8-13H2,1-3H3
InChIKeyAFWUPSQHQFQRQQ-UHFFFAOYSA-N
XLogP2.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (CID 5084933) is 4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is COc1ccc(CN2CC(C(=O)N3CC(C)CC(C)C3)CC2=O)cc1.
What is the InChIKey of 4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is AFWUPSQHQFQRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14-8-15(2)11-22(10-14)20(24)17-9-19(23)21(13-17)12-16-4-6-18(25-3)7-5-16/h4-7,14-15,17H,8-13H2,1-3H3.
What are the key properties of 4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 344.45 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 5084933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).