3-cyclopentyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanamide;3-methyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]pentanamide

C44H82N8O4 — CID 143404210

IUPAC3-cyclopentyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanamide;3-methyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]pentanamide
SMILESCCCC(C)N1CCN(C(=O)CN2CCC(NC(=O)CC(C)CC)C2)CC1.CCCC(C)N1CCN(C(=O)CN2CCC(NC(=O)CCC3CCCC3)C2)CC1
InChIInChI=1S/C23H42N4O2.C21H40N4O2/c1-3-6-19(2)26-13-15-27(16-14-26)23(29)18-25-12-11-21(17-25)24-22(28)10-9-20-7-4-5-8-20;1-5-7-18(4)24-10-12-25(13-11-24)21(27)16-23-9-8-19(15-23)22-20(26)14-17(3)6-2/h19-21H,3-18H2,1-2H3,(H,24,28);17-19H,5-16H2,1-4H3,(H,22,26)
InChIKeyCPRQBAOIDGGQAZ-UHFFFAOYSA-N
MW787.19 g/mol
LogP4.43
Rot. Bonds18

About 3-cyclopentyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanamide;3-methyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]pentanamide

3-cyclopentyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanamide;3-methyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]pentanamide (PubChem CID 143404210) has the molecular formula C44H82N8O4 and a molecular weight of 787.19 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanamide;3-methyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]pentanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanamide;3-methyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]pentanamide
PubChem CID143404210
Molecular FormulaC44H82N8O4
Molecular Weight787.19 g/mol
Exact Mass786.65
IUPAC Name3-cyclopentyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanamide;3-methyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]pentanamide
SMILESCCCC(C)N1CCN(C(=O)CN2CCC(NC(=O)CC(C)CC)C2)CC1.CCCC(C)N1CCN(C(=O)CN2CCC(NC(=O)CCC3CCCC3)C2)CC1
InChIInChI=1S/C23H42N4O2.C21H40N4O2/c1-3-6-19(2)26-13-15-27(16-14-26)23(29)18-25-12-11-21(17-25)24-22(28)10-9-20-7-4-5-8-20;1-5-7-18(4)24-10-12-25(13-11-24)21(27)16-23-9-8-19(15-23)22-20(26)14-17(3)6-2/h19-21H,3-18H2,1-2H3,(H,24,28);17-19H,5-16H2,1-4H3,(H,22,26)
InChIKeyCPRQBAOIDGGQAZ-UHFFFAOYSA-N
XLogP4.43
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms56
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500787.19
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-cyclopentyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanamide;3-methyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]pentanamide with MolForge

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Related Compounds

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2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
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CID 171392454
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2-[3-methyl-4-[2-[4-(2-methyloctadecyl)-2,5-dioxo-1-[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]pyrrolidin-3-yl]octadecyl]-2,5-dioxopyrrolidin-1-yl]-2-oxo-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetamide
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CID 57514037
(2R)-N-[(2S)-3,3-dimethyl-1-[methyl-[(2S)-3-methyl-1-[(2S)-2-[2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
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CID 57790193

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanamide;3-methyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]pentanamide?
The IUPAC name of 3-cyclopentyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanamide;3-methyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]pentanamide (CID 143404210) is 3-cyclopentyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanamide;3-methyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]pentanamide.
What is the SMILES notation for 3-cyclopentyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanamide;3-methyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]pentanamide?
The canonical SMILES for 3-cyclopentyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanamide;3-methyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]pentanamide is CCCC(C)N1CCN(C(=O)CN2CCC(NC(=O)CC(C)CC)C2)CC1.CCCC(C)N1CCN(C(=O)CN2CCC(NC(=O)CCC3CCCC3)C2)CC1.
What is the InChIKey of 3-cyclopentyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanamide;3-methyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]pentanamide?
The InChIKey is CPRQBAOIDGGQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O2.C21H40N4O2/c1-3-6-19(2)26-13-15-27(16-14-26)23(29)18-25-12-11-21(17-25)24-22(28)10-9-20-7-4-5-8-20;1-5-7-18(4)24-10-12-25(13-11-24)21(27)16-23-9-8-19(15-23)22-20(26)14-17(3)6-2/h19-21H,3-18H2,1-2H3,(H,24,28);17-19H,5-16H2,1-4H3,(H,22,26).
What are the key properties of 3-cyclopentyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanamide;3-methyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]pentanamide?
3-cyclopentyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanamide;3-methyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]pentanamide has a molecular weight of 787.19 g/mol, XLogP of 4.43, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanamide;3-methyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]pentanamide is sourced from PubChem (CID 143404210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).