N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide

C21H29N3O2 — CID 45218820

IUPACN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCN(C(=O)CN1CCCC1=O)C1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C21H29N3O2/c1-22(21(26)15-24-11-5-9-20(24)25)18-8-4-10-23(14-18)19-12-16-6-2-3-7-17(16)13-19/h2-3,6-7,18-19H,4-5,8-15H2,1H3
InChIKeyWCAZBFRKBZPWDY-UHFFFAOYSA-N
MW355.48 g/mol
LogP1.70
Rot. Bonds4

About N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide

N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 45218820) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID45218820
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCN(C(=O)CN1CCCC1=O)C1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C21H29N3O2/c1-22(21(26)15-24-11-5-9-20(24)25)18-8-4-10-23(14-18)19-12-16-6-2-3-7-17(16)13-19/h2-3,6-7,18-19H,4-5,8-15H2,1H3
InChIKeyWCAZBFRKBZPWDY-UHFFFAOYSA-N
XLogP1.70
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide (CID 45218820) is N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide is CN(C(=O)CN1CCCC1=O)C1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is WCAZBFRKBZPWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-22(21(26)15-24-11-5-9-20(24)25)18-8-4-10-23(14-18)19-12-16-6-2-3-7-17(16)13-19/h2-3,6-7,18-19H,4-5,8-15H2,1H3.
What are the key properties of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 355.48 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 45218820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).