N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide

C16H22N4O2 — CID 119809570

IUPACN-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1cccc(N2CCCNC2=O)c1
InChIInChI=1S/C16H22N4O2/c21-15(11-12-5-2-7-17-12)19-13-4-1-6-14(10-13)20-9-3-8-18-16(20)22/h1,4,6,10,12,17H,2-3,5,7-9,11H2,(H,18,22)(H,19,21)
InChIKeyYFMFVMYEKUQIRP-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.69
Rot. Bonds4

About N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide

N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119809570) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119809570
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1cccc(N2CCCNC2=O)c1
InChIInChI=1S/C16H22N4O2/c21-15(11-12-5-2-7-17-12)19-13-4-1-6-14(10-13)20-9-3-8-18-16(20)22/h1,4,6,10,12,17H,2-3,5,7-9,11H2,(H,18,22)(H,19,21)
InChIKeyYFMFVMYEKUQIRP-UHFFFAOYSA-N
XLogP1.69
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119727665
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119940096
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61365428
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61365614
3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119514860
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 79026340
N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119857085
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
(2R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103795360
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119733243
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide (CID 119809570) is N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)Nc1cccc(N2CCCNC2=O)c1.
What is the InChIKey of N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is YFMFVMYEKUQIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-15(11-12-5-2-7-17-12)19-13-4-1-6-14(10-13)20-9-3-8-18-16(20)22/h1,4,6,10,12,17H,2-3,5,7-9,11H2,(H,18,22)(H,19,21).
What are the key properties of N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide?
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 302.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119809570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).