2-cyclopentyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]acetamide

C22H33N3O — CID 25264796

IUPAC2-cyclopentyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]acetamide
SMILESCC1CCCN1C1CCN(c2ccc(NC(=O)CC3CCCC3)cc2)C1
InChIInChI=1S/C22H33N3O/c1-17-5-4-13-25(17)21-12-14-24(16-21)20-10-8-19(9-11-20)23-22(26)15-18-6-2-3-7-18/h8-11,17-18,21H,2-7,12-16H2,1H3,(H,23,26)
InChIKeyWRBZABSLXIGYJG-UHFFFAOYSA-N
MW355.53 g/mol
LogP4.27
Rot. Bonds5

About 2-cyclopentyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]acetamide

2-cyclopentyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]acetamide (PubChem CID 25264796) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]acetamide
PubChem CID25264796
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name2-cyclopentyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]acetamide
SMILESCC1CCCN1C1CCN(c2ccc(NC(=O)CC3CCCC3)cc2)C1
InChIInChI=1S/C22H33N3O/c1-17-5-4-13-25(17)21-12-14-24(16-21)20-10-8-19(9-11-20)23-22(26)15-18-6-2-3-7-18/h8-11,17-18,21H,2-7,12-16H2,1H3,(H,23,26)
InChIKeyWRBZABSLXIGYJG-UHFFFAOYSA-N
XLogP4.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]acetamide (CID 25264796) is 2-cyclopentyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]acetamide is CC1CCCN1C1CCN(c2ccc(NC(=O)CC3CCCC3)cc2)C1.
What is the InChIKey of 2-cyclopentyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is WRBZABSLXIGYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-17-5-4-13-25(17)21-12-14-24(16-21)20-10-8-19(9-11-20)23-22(26)15-18-6-2-3-7-18/h8-11,17-18,21H,2-7,12-16H2,1H3,(H,23,26).
What are the key properties of 2-cyclopentyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]acetamide?
2-cyclopentyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 355.53 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 25264796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).