(4-oxo-4-piperidin-1-ylbutoxy) formate

C10H17NO4 — CID 137457419

IUPAC(4-oxo-4-piperidin-1-ylbutoxy) formate
SMILESO=COOCCCC(=O)N1CCCCC1
InChIInChI=1S/C10H17NO4/c12-9-15-14-8-4-5-10(13)11-6-2-1-3-7-11/h9H,1-8H2
InChIKeyOKZMTSHSKMEKOQ-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.88
Rot. Bonds6

About (4-oxo-4-piperidin-1-ylbutoxy) formate

(4-oxo-4-piperidin-1-ylbutoxy) formate (PubChem CID 137457419) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (4-oxo-4-piperidin-1-ylbutoxy) formate.

Molecular Properties

Compound Name(4-oxo-4-piperidin-1-ylbutoxy) formate
PubChem CID137457419
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(4-oxo-4-piperidin-1-ylbutoxy) formate
SMILESO=COOCCCC(=O)N1CCCCC1
InChIInChI=1S/C10H17NO4/c12-9-15-14-8-4-5-10(13)11-6-2-1-3-7-11/h9H,1-8H2
InChIKeyOKZMTSHSKMEKOQ-UHFFFAOYSA-N
XLogP0.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
4-prop-2-enoxy-1-pyrrolidin-1-ylbutan-1-one
CID 101499982
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
5-(azetidin-1-yl)-5-oxopentanal
CID 142529697
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
8-(azonan-1-yl)-8-oxooctanamide
CID 54569305
4-[(E)-pent-2-enoxy]-1-pyrrolidin-1-ylbutan-1-one
CID 45276220
3-methylperoxy-1-pyrrolidin-1-ylpropan-1-one
CID 88902990
[3-(azocan-1-yl)-3-oxopropyl] carbamate
CID 69258184
1-(azepan-1-yl)-3-hydroxypropan-1-one
CID 82111325
3-ethoxy-1-piperidin-1-ylpropan-1-one
CID 63184381
4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one
CID 19173677

Frequently Asked Questions

What is the IUPAC name of (4-oxo-4-piperidin-1-ylbutoxy) formate?
The IUPAC name of (4-oxo-4-piperidin-1-ylbutoxy) formate (CID 137457419) is (4-oxo-4-piperidin-1-ylbutoxy) formate.
What is the SMILES notation for (4-oxo-4-piperidin-1-ylbutoxy) formate?
The canonical SMILES for (4-oxo-4-piperidin-1-ylbutoxy) formate is O=COOCCCC(=O)N1CCCCC1.
What is the InChIKey of (4-oxo-4-piperidin-1-ylbutoxy) formate?
The InChIKey is OKZMTSHSKMEKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c12-9-15-14-8-4-5-10(13)11-6-2-1-3-7-11/h9H,1-8H2.
What are the key properties of (4-oxo-4-piperidin-1-ylbutoxy) formate?
(4-oxo-4-piperidin-1-ylbutoxy) formate has a molecular weight of 215.25 g/mol, XLogP of 0.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-4-piperidin-1-ylbutoxy) formate is sourced from PubChem (CID 137457419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).