4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]benzamide

C16H23N3O — CID 67137204

IUPAC4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]benzamide
SMILESCC1CCCN1C1CCN(c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C16H23N3O/c1-12-3-2-9-19(12)15-8-10-18(11-15)14-6-4-13(5-7-14)16(17)20/h4-7,12,15H,2-3,8-11H2,1H3,(H2,17,20)
InChIKeyRYEHEOIJYWJLSF-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.85
Rot. Bonds3

About 4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]benzamide

4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]benzamide (PubChem CID 67137204) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]benzamide
PubChem CID67137204
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]benzamide
SMILESCC1CCCN1C1CCN(c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C16H23N3O/c1-12-3-2-9-19(12)15-8-10-18(11-15)14-6-4-13(5-7-14)16(17)20/h4-7,12,15H,2-3,8-11H2,1H3,(H2,17,20)
InChIKeyRYEHEOIJYWJLSF-UHFFFAOYSA-N
XLogP1.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]benzamide?
The IUPAC name of 4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]benzamide (CID 67137204) is 4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]benzamide.
What is the SMILES notation for 4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]benzamide?
The canonical SMILES for 4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]benzamide is CC1CCCN1C1CCN(c2ccc(C(N)=O)cc2)C1.
What is the InChIKey of 4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]benzamide?
The InChIKey is RYEHEOIJYWJLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-3-2-9-19(12)15-8-10-18(11-15)14-6-4-13(5-7-14)16(17)20/h4-7,12,15H,2-3,8-11H2,1H3,(H2,17,20).
What are the key properties of 4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]benzamide?
4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]benzamide has a molecular weight of 273.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 67137204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).