5-(4-benzylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one

C20H28N2O2 — CID 3429051

IUPAC5-(4-benzylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C(=O)CCC1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H28N2O2/c1-15(2)22-18(8-9-19(22)23)20(24)21-12-10-17(11-13-21)14-16-6-4-3-5-7-16/h3-7,15,17-18H,8-14H2,1-2H3
InChIKeyNZMBZQRTDURHFQ-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.87
Rot. Bonds4

About 5-(4-benzylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one

5-(4-benzylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 3429051) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 5-(4-benzylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-benzylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID3429051
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name5-(4-benzylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C(=O)CCC1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H28N2O2/c1-15(2)22-18(8-9-19(22)23)20(24)21-12-10-17(11-13-21)14-16-6-4-3-5-7-16/h3-7,15,17-18H,8-14H2,1-2H3
InChIKeyNZMBZQRTDURHFQ-UHFFFAOYSA-N
XLogP2.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one (CID 3429051) is 5-(4-benzylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5-(4-benzylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 5-(4-benzylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one is CC(C)N1C(=O)CCC1C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 5-(4-benzylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is NZMBZQRTDURHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15(2)22-18(8-9-19(22)23)20(24)21-12-10-17(11-13-21)14-16-6-4-3-5-7-16/h3-7,15,17-18H,8-14H2,1-2H3.
What are the key properties of 5-(4-benzylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
5-(4-benzylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 328.46 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 3429051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).