ethane;molecular hydrogen;2-oxo-2-piperidin-4-ylethanimidamide

C9H21N3O — CID 145256847

IUPACethane;molecular hydrogen;2-oxo-2-piperidin-4-ylethanimidamide
SMILESCC.[H]/N=C(\N)C(=O)C1CCNCC1.[H][H]
InChIInChI=1S/C7H13N3O.C2H6.H2/c8-7(9)6(11)5-1-3-10-4-2-5;1-2;/h5,10H,1-4H2,(H3,8,9);1-2H3;1H
InChIKeyTVAJCVFJHCCDTE-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.76
Rot. Bonds2

About ethane;molecular hydrogen;2-oxo-2-piperidin-4-ylethanimidamide

ethane;molecular hydrogen;2-oxo-2-piperidin-4-ylethanimidamide (PubChem CID 145256847) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is ethane;molecular hydrogen;2-oxo-2-piperidin-4-ylethanimidamide.

Molecular Properties

Compound Nameethane;molecular hydrogen;2-oxo-2-piperidin-4-ylethanimidamide
PubChem CID145256847
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Nameethane;molecular hydrogen;2-oxo-2-piperidin-4-ylethanimidamide
SMILESCC.[H]/N=C(\N)C(=O)C1CCNCC1.[H][H]
InChIInChI=1S/C7H13N3O.C2H6.H2/c8-7(9)6(11)5-1-3-10-4-2-5;1-2;/h5,10H,1-4H2,(H3,8,9);1-2H3;1H
InChIKeyTVAJCVFJHCCDTE-UHFFFAOYSA-N
XLogP0.76
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,4-Dimethylpiperidin-3-one;ethane;methanimidamide
CID 90716272
N'-hydroxy-2-oxo-2-piperidin-4-ylethanimidamide
CID 126593084
(1-Amino-2-methylpropylidene)-(piperidine-4-carbonyl)azanium
CID 144413215
1-Aminopropylidene(piperidine-4-carbonyl)azanium
CID 144413235
N'-hydroxy-2-oxo-2-piperidin-4-ylethanimidamide
CID 145256723
(1-Amino-2-oxo-2-piperidin-4-ylethylidene)azanium
CID 145256819
N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide
CID 145256824
ethane;N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide;molecular hydrogen
CID 145256922
N-(2-methylpropanimidoyl)piperidine-4-carboxamide
CID 173475336
2-(Methylamino)-1-piperidin-4-ylethanone
CID 82595867
2-Oxo-2-piperidin-4-ylethanimidamide
CID 145256820

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;2-oxo-2-piperidin-4-ylethanimidamide?
The IUPAC name of ethane;molecular hydrogen;2-oxo-2-piperidin-4-ylethanimidamide (CID 145256847) is ethane;molecular hydrogen;2-oxo-2-piperidin-4-ylethanimidamide.
What is the SMILES notation for ethane;molecular hydrogen;2-oxo-2-piperidin-4-ylethanimidamide?
The canonical SMILES for ethane;molecular hydrogen;2-oxo-2-piperidin-4-ylethanimidamide is CC.[H]/N=C(\N)C(=O)C1CCNCC1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;2-oxo-2-piperidin-4-ylethanimidamide?
The InChIKey is TVAJCVFJHCCDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O.C2H6.H2/c8-7(9)6(11)5-1-3-10-4-2-5;1-2;/h5,10H,1-4H2,(H3,8,9);1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;2-oxo-2-piperidin-4-ylethanimidamide?
ethane;molecular hydrogen;2-oxo-2-piperidin-4-ylethanimidamide has a molecular weight of 187.29 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;2-oxo-2-piperidin-4-ylethanimidamide is sourced from PubChem (CID 145256847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).