(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone

C10H17N2O2- — CID 59620099

IUPAC(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
SMILES[CH2-]N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C10H17N2O2/c1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9/h9H,1-8H2/q-1
InChIKeyHZNOIOPICWALKX-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.10
Rot. Bonds1

About (4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone

(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone (PubChem CID 59620099) has the molecular formula C10H17N2O2- and a molecular weight of 197.26 g/mol. Its IUPAC name is (4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
PubChem CID59620099
Molecular FormulaC10H17N2O2-
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
SMILES[CH2-]N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C10H17N2O2/c1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9/h9H,1-8H2/q-1
InChIKeyHZNOIOPICWALKX-UHFFFAOYSA-N
XLogP0.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251
1-[4-[1-(oxolane-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 113003827
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 63336105
(E)-4-oxo-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]but-2-enoic acid
CID 43402234
2-bromo-2-methyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 114327369
2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 71944684
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile
CID 27280952
2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
CID 94150662

Frequently Asked Questions

What is the IUPAC name of (4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone (CID 59620099) is (4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone is [CH2-]N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of (4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone?
The InChIKey is HZNOIOPICWALKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2O2/c1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9/h9H,1-8H2/q-1.
What are the key properties of (4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone?
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone has a molecular weight of 197.26 g/mol, XLogP of 0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 59620099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).