3-piperidin-3-yloxyprop-1-en-1-one

C8H13NO2 — CID 141000300

IUPAC3-piperidin-3-yloxyprop-1-en-1-one
SMILESO=C=CCOC1CCCNC1
InChIInChI=1S/C8H13NO2/c10-5-2-6-11-8-3-1-4-9-7-8/h2,8-9H,1,3-4,6-7H2
InChIKeyVPGXKXZGYPOGRB-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.14
Rot. Bonds3

About 3-piperidin-3-yloxyprop-1-en-1-one

3-piperidin-3-yloxyprop-1-en-1-one (PubChem CID 141000300) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-piperidin-3-yloxyprop-1-en-1-one.

Molecular Properties

Compound Name3-piperidin-3-yloxyprop-1-en-1-one
PubChem CID141000300
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-piperidin-3-yloxyprop-1-en-1-one
SMILESO=C=CCOC1CCCNC1
InChIInChI=1S/C8H13NO2/c10-5-2-6-11-8-3-1-4-9-7-8/h2,8-9H,1,3-4,6-7H2
InChIKeyVPGXKXZGYPOGRB-UHFFFAOYSA-N
XLogP0.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Piperidin-3-yl 2-fluoroprop-2-enoate
CID 176071236
(3R)-3-prop-2-enoxypiperidine
CID 26191208
(3S)-3-prop-2-enoxypiperidine
CID 26191211
3-(Allyloxy)piperidine
CID 45075369
3-(Allyloxy)piperidine hydrochloride
CID 46735649
[(3R)-piperidin-3-yl] prop-2-enoate
CID 56634332
(3s)-3-(Allyloxy)piperidine hydrochloride salt
CID 69041856
(3r)-3-(Allyloxy)piperidine hydrochloride salt
CID 69042280
2-Morpholin-2-ylethyl prop-2-enoate
CID 70635393
Piperidin-3-yl prop-2-enoate
CID 76381189
(3-Ethoxypiperidin-2-ylidene)methanone
CID 87544995
2-Morpholin-2-ylethenone
CID 88404138

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yloxyprop-1-en-1-one?
The IUPAC name of 3-piperidin-3-yloxyprop-1-en-1-one (CID 141000300) is 3-piperidin-3-yloxyprop-1-en-1-one.
What is the SMILES notation for 3-piperidin-3-yloxyprop-1-en-1-one?
The canonical SMILES for 3-piperidin-3-yloxyprop-1-en-1-one is O=C=CCOC1CCCNC1.
What is the InChIKey of 3-piperidin-3-yloxyprop-1-en-1-one?
The InChIKey is VPGXKXZGYPOGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-5-2-6-11-8-3-1-4-9-7-8/h2,8-9H,1,3-4,6-7H2.
What are the key properties of 3-piperidin-3-yloxyprop-1-en-1-one?
3-piperidin-3-yloxyprop-1-en-1-one has a molecular weight of 155.20 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yloxyprop-1-en-1-one is sourced from PubChem (CID 141000300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).