1-[1-[1-(2-methoxyacetyl)piperidine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one

C18H29N3O4 — CID 134796491

IUPAC1-[1-[1-(2-methoxyacetyl)piperidine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCOCC(=O)N1CCCC(C(=O)N2CCC(N3CCCC3=O)CC2)C1
InChIInChI=1S/C18H29N3O4/c1-25-13-17(23)20-8-2-4-14(12-20)18(24)19-10-6-15(7-11-19)21-9-3-5-16(21)22/h14-15H,2-13H2,1H3
InChIKeyYWGUVTVBUNGNJW-UHFFFAOYSA-N
MW351.45 g/mol
LogP0.48
Rot. Bonds4

About 1-[1-[1-(2-methoxyacetyl)piperidine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[1-(2-methoxyacetyl)piperidine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 134796491) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[1-[1-(2-methoxyacetyl)piperidine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-(2-methoxyacetyl)piperidine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID134796491
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name1-[1-[1-(2-methoxyacetyl)piperidine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCOCC(=O)N1CCCC(C(=O)N2CCC(N3CCCC3=O)CC2)C1
InChIInChI=1S/C18H29N3O4/c1-25-13-17(23)20-8-2-4-14(12-20)18(24)19-10-6-15(7-11-19)21-9-3-5-16(21)22/h14-15H,2-13H2,1H3
InChIKeyYWGUVTVBUNGNJW-UHFFFAOYSA-N
XLogP0.48
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-methoxyacetyl)piperidine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[1-(2-methoxyacetyl)piperidine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one (CID 134796491) is 1-[1-[1-(2-methoxyacetyl)piperidine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[1-(2-methoxyacetyl)piperidine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[1-(2-methoxyacetyl)piperidine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one is COCC(=O)N1CCCC(C(=O)N2CCC(N3CCCC3=O)CC2)C1.
What is the InChIKey of 1-[1-[1-(2-methoxyacetyl)piperidine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is YWGUVTVBUNGNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-25-13-17(23)20-8-2-4-14(12-20)18(24)19-10-6-15(7-11-19)21-9-3-5-16(21)22/h14-15H,2-13H2,1H3.
What are the key properties of 1-[1-[1-(2-methoxyacetyl)piperidine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[1-(2-methoxyacetyl)piperidine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 351.45 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-methoxyacetyl)piperidine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 134796491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).