1-[2-[1-(1-tert-butylpyrrole-3-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one

C20H31N3O2 — CID 72895660

IUPAC1-[2-[1-(1-tert-butylpyrrole-3-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCC(C)(C)n1ccc(C(=O)N2CCCCC2CCN2CCCC2=O)c1
InChIInChI=1S/C20H31N3O2/c1-20(2,3)22-14-9-16(15-22)19(25)23-12-5-4-7-17(23)10-13-21-11-6-8-18(21)24/h9,14-15,17H,4-8,10-13H2,1-3H3
InChIKeyDHPAMJLKKXFBEM-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.25
Rot. Bonds4

About 1-[2-[1-(1-tert-butylpyrrole-3-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one

1-[2-[1-(1-tert-butylpyrrole-3-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 72895660) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[2-[1-(1-tert-butylpyrrole-3-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(1-tert-butylpyrrole-3-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
PubChem CID72895660
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-[2-[1-(1-tert-butylpyrrole-3-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCC(C)(C)n1ccc(C(=O)N2CCCCC2CCN2CCCC2=O)c1
InChIInChI=1S/C20H31N3O2/c1-20(2,3)22-14-9-16(15-22)19(25)23-12-5-4-7-17(23)10-13-21-11-6-8-18(21)24/h9,14-15,17H,4-8,10-13H2,1-3H3
InChIKeyDHPAMJLKKXFBEM-UHFFFAOYSA-N
XLogP3.25
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(1-tert-butylpyrrole-3-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(1-tert-butylpyrrole-3-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one (CID 72895660) is 1-[2-[1-(1-tert-butylpyrrole-3-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(1-tert-butylpyrrole-3-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(1-tert-butylpyrrole-3-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one is CC(C)(C)n1ccc(C(=O)N2CCCCC2CCN2CCCC2=O)c1.
What is the InChIKey of 1-[2-[1-(1-tert-butylpyrrole-3-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is DHPAMJLKKXFBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-20(2,3)22-14-9-16(15-22)19(25)23-12-5-4-7-17(23)10-13-21-11-6-8-18(21)24/h9,14-15,17H,4-8,10-13H2,1-3H3.
What are the key properties of 1-[2-[1-(1-tert-butylpyrrole-3-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-(1-tert-butylpyrrole-3-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 345.49 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(1-tert-butylpyrrole-3-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 72895660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).