2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide

C26H39N3O4 — CID 68684528

IUPAC2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
SMILESCOc1ccc(C2CC(=O)N(CC(=O)NCCN3CCCCC3C)C2)cc1OC1CCCC1
InChIInChI=1S/C26H39N3O4/c1-19-7-5-6-13-28(19)14-12-27-25(30)18-29-17-21(16-26(29)31)20-10-11-23(32-2)24(15-20)33-22-8-3-4-9-22/h10-11,15,19,21-22H,3-9,12-14,16-18H2,1-2H3,(H,27,30)
InChIKeyJTTCANZGZJIYGB-UHFFFAOYSA-N
MW457.62 g/mol
LogP3.32
Rot. Bonds9

About 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide

2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide (PubChem CID 68684528) has the molecular formula C26H39N3O4 and a molecular weight of 457.62 g/mol. Its IUPAC name is 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
PubChem CID68684528
Molecular FormulaC26H39N3O4
Molecular Weight457.62 g/mol
Exact Mass457.29
IUPAC Name2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
SMILESCOc1ccc(C2CC(=O)N(CC(=O)NCCN3CCCCC3C)C2)cc1OC1CCCC1
InChIInChI=1S/C26H39N3O4/c1-19-7-5-6-13-28(19)14-12-27-25(30)18-29-17-21(16-26(29)31)20-10-11-23(32-2)24(15-20)33-22-8-3-4-9-22/h10-11,15,19,21-22H,3-9,12-14,16-18H2,1-2H3,(H,27,30)
InChIKeyJTTCANZGZJIYGB-UHFFFAOYSA-N
XLogP3.32
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetyl chloride
CID 23614685
2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]acetamide
CID 69349989
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
N-(6-amino-2-pyridinyl)-2-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide
CID 10295932
1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 23614663
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 54134810
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 10271091
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one
CID 10293339
(4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 10200965
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one
CID 10111656
N-[4-[[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
CID 70067204
4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzamide
CID 10046158

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide (CID 68684528) is 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide is COc1ccc(C2CC(=O)N(CC(=O)NCCN3CCCCC3C)C2)cc1OC1CCCC1.
What is the InChIKey of 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
The InChIKey is JTTCANZGZJIYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O4/c1-19-7-5-6-13-28(19)14-12-27-25(30)18-29-17-21(16-26(29)31)20-10-11-23(32-2)24(15-20)33-22-8-3-4-9-22/h10-11,15,19,21-22H,3-9,12-14,16-18H2,1-2H3,(H,27,30).
What are the key properties of 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide has a molecular weight of 457.62 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 68684528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).