1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropan-1-one

C17H23NO2 — CID 70452224

IUPAC1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropan-1-one
SMILESCC(CN1CCCCC1)C(=O)C1=C2C=COC=C2CC1
InChIInChI=1S/C17H23NO2/c1-13(11-18-8-3-2-4-9-18)17(19)16-6-5-14-12-20-10-7-15(14)16/h7,10,12-13H,2-6,8-9,11H2,1H3
InChIKeyAOKBZEQDYOGAFJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.20
Rot. Bonds4

About 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropan-1-one

1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropan-1-one (PubChem CID 70452224) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropan-1-one
PubChem CID70452224
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropan-1-one
SMILESCC(CN1CCCCC1)C(=O)C1=C2C=COC=C2CC1
InChIInChI=1S/C17H23NO2/c1-13(11-18-8-3-2-4-9-18)17(19)16-6-5-14-12-20-10-7-15(14)16/h7,10,12-13H,2-6,8-9,11H2,1H3
InChIKeyAOKBZEQDYOGAFJ-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6,7-Dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 57008268
1-(6,7-Dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropan-1-one;hydrochloride
CID 70452223
1-(6,7-Dihydrocyclopenta[c]pyran-5-yl)-2-(piperidin-1-ylmethyl)butan-1-one;hydrochloride
CID 70496182
2-(Azepan-1-ylmethyl)-1-(6,7-dihydrocyclopenta[c]pyran-5-yl)butan-1-one;hydrochloride
CID 70496435
3-(Azepan-1-yl)-1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methylpropan-1-one;hydrochloride
CID 70496470
1-(6,7-Dihydrocyclopenta[c]pyran-5-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one;hydrochloride
CID 70496609
3-(6,7-Dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropanal
CID 88709089
3-Ethyl-2-methyl-1-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroinden-4-one
CID 118081045
5-[[1-[(Z,2E)-2-ethylidenepent-3-enyl]piperidin-4-yl]methyl]-2-[(E)-2-methoxyethenyl]-3-[(E)-2-methoxyprop-1-enyl]cyclopentan-1-one
CID 146513147
6-Hexyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one
CID 20262527
1-(6,7-Dihydrocyclopenta[c]pyran-5-yl)-2-(piperidin-1-ylmethyl)butan-1-one
CID 70496183
2-(Azepan-1-ylmethyl)-1-(6,7-dihydrocyclopenta[c]pyran-5-yl)butan-1-one
CID 70496436

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropan-1-one (CID 70452224) is 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropan-1-one is CC(CN1CCCCC1)C(=O)C1=C2C=COC=C2CC1.
What is the InChIKey of 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropan-1-one?
The InChIKey is AOKBZEQDYOGAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13(11-18-8-3-2-4-9-18)17(19)16-6-5-14-12-20-10-7-15(14)16/h7,10,12-13H,2-6,8-9,11H2,1H3.
What are the key properties of 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropan-1-one?
1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropan-1-one has a molecular weight of 273.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 70452224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).