molecular hydrogen;1-(oxan-4-yl)piperazin-2-one

C9H18N2O2 — CID 143796213

IUPACmolecular hydrogen;1-(oxan-4-yl)piperazin-2-one
SMILESO=C1CNCCN1C1CCOCC1.[H][H]
InChIInChI=1S/C9H16N2O2.H2/c12-9-7-10-3-4-11(9)8-1-5-13-6-2-8;/h8,10H,1-7H2;1H
InChIKeyDIUWQKNUSVSQCA-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.16
Rot. Bonds1

About molecular hydrogen;1-(oxan-4-yl)piperazin-2-one

molecular hydrogen;1-(oxan-4-yl)piperazin-2-one (PubChem CID 143796213) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is molecular hydrogen;1-(oxan-4-yl)piperazin-2-one.

Molecular Properties

Compound Namemolecular hydrogen;1-(oxan-4-yl)piperazin-2-one
PubChem CID143796213
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemolecular hydrogen;1-(oxan-4-yl)piperazin-2-one
SMILESO=C1CNCCN1C1CCOCC1.[H][H]
InChIInChI=1S/C9H16N2O2.H2/c12-9-7-10-3-4-11(9)8-1-5-13-6-2-8;/h8,10H,1-7H2;1H
InChIKeyDIUWQKNUSVSQCA-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tetrahydro-2H-pyran-4-yl)-2-piperazinone hydrochloride
CID 67085010
2-[(Oxan-4-yl)amino]acetamide
CID 43608309
9-Oxa-1,4-diazaspiro[5.5]undecan-3-one
CID 82412456
propanamide, N-4-piperidinyl-N-(tetrahydro-2H-pyran-4-yl)-
CID 91916159
2-amino-N-methyl-N-(oxan-4-yl)propanamide
CID 43611105
Methyl 3-(oxan-4-ylamino)piperidine-1-carboxylate
CID 71926600
1-(Oxan-4-yl)-3-(piperazin-1-yl)piperidin-2-one
CID 75480394
2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 132289030
1-(Oxan-4-yl)piperazin-2-one
CID 55296257
N-(oxan-4-yl)-2-(3,3,3-trifluoropropylamino)acetamide
CID 63226083
N-methyl-N-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79210172
N-(oxan-4-yl)-2-(4,4,4-trifluorobutan-2-ylamino)acetamide
CID 105935472

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1-(oxan-4-yl)piperazin-2-one?
The IUPAC name of molecular hydrogen;1-(oxan-4-yl)piperazin-2-one (CID 143796213) is molecular hydrogen;1-(oxan-4-yl)piperazin-2-one.
What is the SMILES notation for molecular hydrogen;1-(oxan-4-yl)piperazin-2-one?
The canonical SMILES for molecular hydrogen;1-(oxan-4-yl)piperazin-2-one is O=C1CNCCN1C1CCOCC1.[H][H].
What is the InChIKey of molecular hydrogen;1-(oxan-4-yl)piperazin-2-one?
The InChIKey is DIUWQKNUSVSQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2.H2/c12-9-7-10-3-4-11(9)8-1-5-13-6-2-8;/h8,10H,1-7H2;1H.
What are the key properties of molecular hydrogen;1-(oxan-4-yl)piperazin-2-one?
molecular hydrogen;1-(oxan-4-yl)piperazin-2-one has a molecular weight of 186.25 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1-(oxan-4-yl)piperazin-2-one is sourced from PubChem (CID 143796213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).