3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide

C16H22N4O2 — CID 119514860

IUPAC3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCN1)c1cccc(N2CCCNC2=O)c1
InChIInChI=1S/C16H22N4O2/c21-15(19-11-13-5-2-7-17-13)12-4-1-6-14(10-12)20-9-3-8-18-16(20)22/h1,4,6,10,13,17H,2-3,5,7-9,11H2,(H,18,22)(H,19,21)
InChIKeyNDCSHSKRUINYCF-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.09
Rot. Bonds4

About 3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide

3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 119514860) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID119514860
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCN1)c1cccc(N2CCCNC2=O)c1
InChIInChI=1S/C16H22N4O2/c21-15(19-11-13-5-2-7-17-13)12-4-1-6-14(10-12)20-9-3-8-18-16(20)22/h1,4,6,10,13,17H,2-3,5,7-9,11H2,(H,18,22)(H,19,21)
InChIKeyNDCSHSKRUINYCF-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]acetic acid
CID 119350110
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119809570
N-(3-cyclopentylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 60504639
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride
CID 119459683
2-[[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]propanoic acid
CID 119348696
3-(2-oxoimidazolidin-1-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 55699507
1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one
CID 166190059
N-[3-(aminomethyl)pentan-3-yl]-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride
CID 119572144
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119727665
3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride
CID 154911098
3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513246
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide (CID 119514860) is 3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide is O=C(NCC1CCCN1)c1cccc(N2CCCNC2=O)c1.
What is the InChIKey of 3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is NDCSHSKRUINYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-15(19-11-13-5-2-7-17-13)12-4-1-6-14(10-12)20-9-3-8-18-16(20)22/h1,4,6,10,13,17H,2-3,5,7-9,11H2,(H,18,22)(H,19,21).
What are the key properties of 3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide?
3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 302.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 119514860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).