3-[1-(2,3-dihydro-1H-inden-4-ylmethyl)piperidin-4-yl]-3-hydroxycyclobutane-1-carboxylic acid

C20H27NO3 — CID 166287846

IUPAC3-[1-(2,3-dihydro-1H-inden-4-ylmethyl)piperidin-4-yl]-3-hydroxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(O)(C2CCN(Cc3cccc4c3CCC4)CC2)C1
InChIInChI=1S/C20H27NO3/c22-19(23)16-11-20(24,12-16)17-7-9-21(10-8-17)13-15-5-1-3-14-4-2-6-18(14)15/h1,3,5,16-17,24H,2,4,6-13H2,(H,22,23)
InChIKeyQQUQMIINVVBGRS-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.61
Rot. Bonds4

About 3-[1-(2,3-dihydro-1H-inden-4-ylmethyl)piperidin-4-yl]-3-hydroxycyclobutane-1-carboxylic acid

3-[1-(2,3-dihydro-1H-inden-4-ylmethyl)piperidin-4-yl]-3-hydroxycyclobutane-1-carboxylic acid (PubChem CID 166287846) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-[1-(2,3-dihydro-1H-inden-4-ylmethyl)piperidin-4-yl]-3-hydroxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-(2,3-dihydro-1H-inden-4-ylmethyl)piperidin-4-yl]-3-hydroxycyclobutane-1-carboxylic acid
PubChem CID166287846
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name3-[1-(2,3-dihydro-1H-inden-4-ylmethyl)piperidin-4-yl]-3-hydroxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(O)(C2CCN(Cc3cccc4c3CCC4)CC2)C1
InChIInChI=1S/C20H27NO3/c22-19(23)16-11-20(24,12-16)17-7-9-21(10-8-17)13-15-5-1-3-14-4-2-6-18(14)15/h1,3,5,16-17,24H,2,4,6-13H2,(H,22,23)
InChIKeyQQUQMIINVVBGRS-UHFFFAOYSA-N
XLogP2.61
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydro-1H-inden-4-ylmethyl)piperidin-4-yl]-3-hydroxycyclobutane-1-carboxylic acid?
The IUPAC name of 3-[1-(2,3-dihydro-1H-inden-4-ylmethyl)piperidin-4-yl]-3-hydroxycyclobutane-1-carboxylic acid (CID 166287846) is 3-[1-(2,3-dihydro-1H-inden-4-ylmethyl)piperidin-4-yl]-3-hydroxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[1-(2,3-dihydro-1H-inden-4-ylmethyl)piperidin-4-yl]-3-hydroxycyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[1-(2,3-dihydro-1H-inden-4-ylmethyl)piperidin-4-yl]-3-hydroxycyclobutane-1-carboxylic acid is O=C(O)C1CC(O)(C2CCN(Cc3cccc4c3CCC4)CC2)C1.
What is the InChIKey of 3-[1-(2,3-dihydro-1H-inden-4-ylmethyl)piperidin-4-yl]-3-hydroxycyclobutane-1-carboxylic acid?
The InChIKey is QQUQMIINVVBGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c22-19(23)16-11-20(24,12-16)17-7-9-21(10-8-17)13-15-5-1-3-14-4-2-6-18(14)15/h1,3,5,16-17,24H,2,4,6-13H2,(H,22,23).
What are the key properties of 3-[1-(2,3-dihydro-1H-inden-4-ylmethyl)piperidin-4-yl]-3-hydroxycyclobutane-1-carboxylic acid?
3-[1-(2,3-dihydro-1H-inden-4-ylmethyl)piperidin-4-yl]-3-hydroxycyclobutane-1-carboxylic acid has a molecular weight of 329.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydro-1H-inden-4-ylmethyl)piperidin-4-yl]-3-hydroxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 166287846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).