1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one

C10H17FN2O2 — CID 126536230

IUPAC1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1C1CC(CO)CC1F
InChIInChI=1S/C10H17FN2O2/c11-8-4-7(6-14)5-9(8)13-3-1-2-12-10(13)15/h7-9,14H,1-6H2,(H,12,15)
InChIKeyLUNKVSSXGHERFJ-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.51
Rot. Bonds2

About 1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one

1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one (PubChem CID 126536230) has the molecular formula C10H17FN2O2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one
PubChem CID126536230
Molecular FormulaC10H17FN2O2
Molecular Weight216.26 g/mol
Exact Mass216.13
IUPAC Name1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1C1CC(CO)CC1F
InChIInChI=1S/C10H17FN2O2/c11-8-4-7(6-14)5-9(8)13-3-1-2-12-10(13)15/h7-9,14H,1-6H2,(H,12,15)
InChIKeyLUNKVSSXGHERFJ-UHFFFAOYSA-N
XLogP0.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 56794735
3-(2-Hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
CID 83992265
3-(2,2-Difluoroethylamino)-5-(2-hydroxyethyl)piperidine-1-carboxamide
CID 83992959
1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-1,3-diazinane-2,4-dione
CID 172580836
1-Cyclohexyl-1-[1-[3-(hydroxymethyl)cyclopentyl]piperidin-4-yl]urea
CID 178762597
1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-3-methylurea
CID 14282881
1-[3-(Hydroxymethyl)cyclopentyl]-3-methylurea
CID 14282882
3-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 62356608
4-[[2-(Hydroxymethyl)cyclopentyl]methylamino]piperidine-1-carboxamide
CID 65925981
N-cyclopentyl-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 78942660
4-[[2-(hydroxymethyl)cyclopentyl]methylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 83262575
3-(2-Hydroxyethyl)-5-(methylamino)piperidine-1-carboxamide
CID 83989712

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one (CID 126536230) is 1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one is O=C1NCCCN1C1CC(CO)CC1F.
What is the InChIKey of 1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one?
The InChIKey is LUNKVSSXGHERFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O2/c11-8-4-7(6-14)5-9(8)13-3-1-2-12-10(13)15/h7-9,14H,1-6H2,(H,12,15).
What are the key properties of 1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one?
1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one has a molecular weight of 216.26 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one is sourced from PubChem (CID 126536230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).