4-(2-ethylpiperidine-1-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one

C26H32N2O4 — CID 15997072

IUPAC4-(2-ethylpiperidine-1-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one
SMILESCCC1CCCCN1C(=O)C1CC(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C26H32N2O4/c1-4-19-7-5-6-16-27(19)26(30)23-17-24(29)28(20-10-14-22(32-3)15-11-20)25(23)18-8-12-21(31-2)13-9-18/h8-15,19,23,25H,4-7,16-17H2,1-3H3
InChIKeyJIKLNGYWLDDBOL-UHFFFAOYSA-N
MW436.55 g/mol
LogP4.59
Rot. Bonds6

About 4-(2-ethylpiperidine-1-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one

4-(2-ethylpiperidine-1-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 15997072) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 4-(2-ethylpiperidine-1-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-ethylpiperidine-1-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one
PubChem CID15997072
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name4-(2-ethylpiperidine-1-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one
SMILESCCC1CCCCN1C(=O)C1CC(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C26H32N2O4/c1-4-19-7-5-6-16-27(19)26(30)23-17-24(29)28(20-10-14-22(32-3)15-11-20)25(23)18-8-12-21(31-2)13-9-18/h8-15,19,23,25H,4-7,16-17H2,1-3H3
InChIKeyJIKLNGYWLDDBOL-UHFFFAOYSA-N
XLogP4.59
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 6494498
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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidine-1-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(2-ethylpiperidine-1-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one (CID 15997072) is 4-(2-ethylpiperidine-1-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2-ethylpiperidine-1-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2-ethylpiperidine-1-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one is CCC1CCCCN1C(=O)C1CC(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1.
What is the InChIKey of 4-(2-ethylpiperidine-1-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is JIKLNGYWLDDBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-4-19-7-5-6-16-27(19)26(30)23-17-24(29)28(20-10-14-22(32-3)15-11-20)25(23)18-8-12-21(31-2)13-9-18/h8-15,19,23,25H,4-7,16-17H2,1-3H3.
What are the key properties of 4-(2-ethylpiperidine-1-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one?
4-(2-ethylpiperidine-1-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 436.55 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidine-1-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 15997072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).