sodium;acetyl 2-piperidin-1-ylacetate;hydride

C9H16NNaO3 — CID 174390410

IUPACsodium;acetyl 2-piperidin-1-ylacetate;hydride
SMILESCC(=O)OC(=O)CN1CCCCC1.[H-].[Na+]
InChIInChI=1S/C9H15NO3.Na.H/c1-8(11)13-9(12)7-10-5-3-2-4-6-10;;/h2-7H2,1H3;;/q;+1;-1
InChIKeyKXJHNDFIIRUKAC-UHFFFAOYSA-N
MW209.22 g/mol
LogP-2.32
Rot. Bonds2

About sodium;acetyl 2-piperidin-1-ylacetate;hydride

sodium;acetyl 2-piperidin-1-ylacetate;hydride (PubChem CID 174390410) has the molecular formula C9H16NNaO3 and a molecular weight of 209.22 g/mol. Its IUPAC name is sodium;acetyl 2-piperidin-1-ylacetate;hydride.

Molecular Properties

Compound Namesodium;acetyl 2-piperidin-1-ylacetate;hydride
PubChem CID174390410
Molecular FormulaC9H16NNaO3
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Namesodium;acetyl 2-piperidin-1-ylacetate;hydride
SMILESCC(=O)OC(=O)CN1CCCCC1.[H-].[Na+]
InChIInChI=1S/C9H15NO3.Na.H/c1-8(11)13-9(12)7-10-5-3-2-4-6-10;;/h2-7H2,1H3;;/q;+1;-1
InChIKeyKXJHNDFIIRUKAC-UHFFFAOYSA-N
XLogP-2.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 5-2.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

acetyl 2-piperidin-1-ylacetate;N,N-dimethylformamide
CID 174617959
ethyl 2-(azocan-1-yl)acetate
CID 25219274
propan-2-yl 2-piperidin-1-ylacetate
CID 44791468
ethane;1-piperidin-1-ylpropan-2-one
CID 90726504
sodium;diacetyl butanedioate;hydride
CID 173377512
pyrrolidin-1-ylmethyl acetate
CID 23560806
2,2,2-trifluoroethyl 2-piperidin-1-ylacetate
CID 59012994
1-(azocan-1-yl)-3-methoxypropan-2-one
CID 107507090
CID 59303677
CID 59303677
2-methylprop-2-enoic acid;2-piperidin-1-ylacetic acid
CID 174941495
3-methyl-1-piperidin-1-ylbutan-2-one
CID 160735866
(3-methylcyclohexyl) 2-piperidin-1-ylacetate
CID 156718773

Frequently Asked Questions

What is the IUPAC name of sodium;acetyl 2-piperidin-1-ylacetate;hydride?
The IUPAC name of sodium;acetyl 2-piperidin-1-ylacetate;hydride (CID 174390410) is sodium;acetyl 2-piperidin-1-ylacetate;hydride.
What is the SMILES notation for sodium;acetyl 2-piperidin-1-ylacetate;hydride?
The canonical SMILES for sodium;acetyl 2-piperidin-1-ylacetate;hydride is CC(=O)OC(=O)CN1CCCCC1.[H-].[Na+].
What is the InChIKey of sodium;acetyl 2-piperidin-1-ylacetate;hydride?
The InChIKey is KXJHNDFIIRUKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3.Na.H/c1-8(11)13-9(12)7-10-5-3-2-4-6-10;;/h2-7H2,1H3;;/q;+1;-1.
What are the key properties of sodium;acetyl 2-piperidin-1-ylacetate;hydride?
sodium;acetyl 2-piperidin-1-ylacetate;hydride has a molecular weight of 209.22 g/mol, XLogP of -2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetyl 2-piperidin-1-ylacetate;hydride is sourced from PubChem (CID 174390410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).