N-[(1R,3R)-3-aminocyclopentyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide

C16H20N4O3 — CID 56748106

IUPACN-[(1R,3R)-3-aminocyclopentyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
SMILESN[C@@H]1CC[C@@H](NC(=O)c2ccccc2N2CCC(=O)NC2=O)C1
InChIInChI=1S/C16H20N4O3/c17-10-5-6-11(9-10)18-15(22)12-3-1-2-4-13(12)20-8-7-14(21)19-16(20)23/h1-4,10-11H,5-9,17H2,(H,18,22)(H,19,21,23)/t10-,11-/m1/s1
InChIKeyDZLZIQGVNZWGFB-GHMZBOCLSA-N
MW316.36 g/mol
LogP0.74
Rot. Bonds3

About N-[(1R,3R)-3-aminocyclopentyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide

N-[(1R,3R)-3-aminocyclopentyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide (PubChem CID 56748106) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(1R,3R)-3-aminocyclopentyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-aminocyclopentyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
PubChem CID56748106
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[(1R,3R)-3-aminocyclopentyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
SMILESN[C@@H]1CC[C@@H](NC(=O)c2ccccc2N2CCC(=O)NC2=O)C1
InChIInChI=1S/C16H20N4O3/c17-10-5-6-11(9-10)18-15(22)12-3-1-2-4-13(12)20-8-7-14(21)19-16(20)23/h1-4,10-11H,5-9,17H2,(H,18,22)(H,19,21,23)/t10-,11-/m1/s1
InChIKeyDZLZIQGVNZWGFB-GHMZBOCLSA-N
XLogP0.74
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 90652038
N-[(1R,3R)-3-aminocyclopentyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;hydrochloride
CID 154888710
2-(4-aminopiperidin-1-yl)-N-cyclopropylbenzamide
CID 42656462
1-(2-hydroxyphenyl)-1,3-diazinane-2,4-dione
CID 15060157
N-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide
CID 115272862
N-[(1R,3R)-3-aminocyclopentyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 56740333
N-(4-aminocyclohexyl)-2-methylbenzamide
CID 43653114
1-[2-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 155499404
N-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)benzamide
CID 168686066
1-[2-[(1S,2S,4R)-2-ethyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptane-7-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 165421782
N-cyclopropyl-2-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84576404
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide?
The IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide (CID 56748106) is N-[(1R,3R)-3-aminocyclopentyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide.
What is the SMILES notation for N-[(1R,3R)-3-aminocyclopentyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide?
The canonical SMILES for N-[(1R,3R)-3-aminocyclopentyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide is N[C@@H]1CC[C@@H](NC(=O)c2ccccc2N2CCC(=O)NC2=O)C1.
What is the InChIKey of N-[(1R,3R)-3-aminocyclopentyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide?
The InChIKey is DZLZIQGVNZWGFB-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H20N4O3/c17-10-5-6-11(9-10)18-15(22)12-3-1-2-4-13(12)20-8-7-14(21)19-16(20)23/h1-4,10-11H,5-9,17H2,(H,18,22)(H,19,21,23)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,3R)-3-aminocyclopentyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide?
N-[(1R,3R)-3-aminocyclopentyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide has a molecular weight of 316.36 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-aminocyclopentyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide is sourced from PubChem (CID 56748106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).