2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C15H21N3O — CID 64617395

IUPAC2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CC1CNC1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H21N3O/c19-15(9-12-10-16-11-12)17-13-3-5-14(6-4-13)18-7-1-2-8-18/h3-6,12,16H,1-2,7-11H2,(H,17,19)
InChIKeyRJMFGPNBMOSZML-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.83
Rot. Bonds4

About 2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 64617395) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID64617395
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CC1CNC1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H21N3O/c19-15(9-12-10-16-11-12)17-13-3-5-14(6-4-13)18-7-1-2-8-18/h3-6,12,16H,1-2,7-11H2,(H,17,19)
InChIKeyRJMFGPNBMOSZML-UHFFFAOYSA-N
XLogP1.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-yl)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 64616785
2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862088
2-cyclobutyl-N-(4-piperazin-1-ylphenyl)acetamide
CID 103162243
2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 42335959
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073
2-(azetidin-3-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 64611833
2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862093
2-(oxolan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110696650
N-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9279041
N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66423032
3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 43701399

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 64617395) is 2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(CC1CNC1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is RJMFGPNBMOSZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15(9-12-10-16-11-12)17-13-3-5-14(6-4-13)18-7-1-2-8-18/h3-6,12,16H,1-2,7-11H2,(H,17,19).
What are the key properties of 2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 259.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 64617395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).