1-[(3R)-3-prop-2-enylpiperidin-3-yl]pentan-3-one

C13H23NO — CID 153493125

IUPAC1-[(3R)-3-prop-2-enylpiperidin-3-yl]pentan-3-one
SMILESC=CC[C@]1(CCC(=O)CC)CCCNC1
InChIInChI=1S/C13H23NO/c1-3-7-13(8-5-10-14-11-13)9-6-12(15)4-2/h3,14H,1,4-11H2,2H3/t13-/m1/s1
InChIKeyJZXKMYWTNFHSDN-CYBMUJFWSA-N
MW209.33 g/mol
LogP2.69
Rot. Bonds6

About 1-[(3R)-3-prop-2-enylpiperidin-3-yl]pentan-3-one

1-[(3R)-3-prop-2-enylpiperidin-3-yl]pentan-3-one (PubChem CID 153493125) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-[(3R)-3-prop-2-enylpiperidin-3-yl]pentan-3-one.

Molecular Properties

Compound Name1-[(3R)-3-prop-2-enylpiperidin-3-yl]pentan-3-one
PubChem CID153493125
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-[(3R)-3-prop-2-enylpiperidin-3-yl]pentan-3-one
SMILESC=CC[C@]1(CCC(=O)CC)CCCNC1
InChIInChI=1S/C13H23NO/c1-3-7-13(8-5-10-14-11-13)9-6-12(15)4-2/h3,14H,1,4-11H2,2H3/t13-/m1/s1
InChIKeyJZXKMYWTNFHSDN-CYBMUJFWSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-3-(oct-6-enoyl) piperidinone
CID 172994153
3-Methyl-3-prop-2-enylpiperidin-4-one
CID 21652418
2-Methyl-1-(6-methylpiperidin-2-yl)but-3-en-1-one;hydrochloride
CID 22620151
2-Methyl-1-(6-methylpiperidin-2-yl)but-3-en-1-one
CID 22620152
2-methyl-1-[(2S,6R)-6-methylpiperidin-2-yl]but-3-en-1-one
CID 67498470
2-methyl-1-[(2S,6R)-6-methylpiperidin-2-yl]but-3-en-1-one;hydrochloride
CID 67499229
4-(2-Methylcyclohexa-1,5-dien-1-yl)-5-(4-methylpiperidin-4-yl)pentan-2-one
CID 68046985
3,3,5-Tris(prop-2-enyl)piperidin-4-one
CID 69092834
3-Oct-1-en-4-ylpiperidin-4-one
CID 69353919
2-methyl-1-[(2S)-6-methylpiperidin-2-yl]but-3-en-1-one
CID 70015654
2-methyl-1-[(2S)-6-methylpiperidin-2-yl]but-3-en-1-one;hydrochloride
CID 70018592
(5S)-5-ethyl-5-prop-2-enylpiperidin-2-one
CID 89317966

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-prop-2-enylpiperidin-3-yl]pentan-3-one?
The IUPAC name of 1-[(3R)-3-prop-2-enylpiperidin-3-yl]pentan-3-one (CID 153493125) is 1-[(3R)-3-prop-2-enylpiperidin-3-yl]pentan-3-one.
What is the SMILES notation for 1-[(3R)-3-prop-2-enylpiperidin-3-yl]pentan-3-one?
The canonical SMILES for 1-[(3R)-3-prop-2-enylpiperidin-3-yl]pentan-3-one is C=CC[C@]1(CCC(=O)CC)CCCNC1.
What is the InChIKey of 1-[(3R)-3-prop-2-enylpiperidin-3-yl]pentan-3-one?
The InChIKey is JZXKMYWTNFHSDN-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-7-13(8-5-10-14-11-13)9-6-12(15)4-2/h3,14H,1,4-11H2,2H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-prop-2-enylpiperidin-3-yl]pentan-3-one?
1-[(3R)-3-prop-2-enylpiperidin-3-yl]pentan-3-one has a molecular weight of 209.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-prop-2-enylpiperidin-3-yl]pentan-3-one is sourced from PubChem (CID 153493125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).