2-(6-naphthalen-2-yl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)acetic acid

C26H27NO2 — CID 68856397

IUPAC2-(6-naphthalen-2-yl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)acetic acid
SMILESO=C(O)CC1CCc2cc(N3CCCCC3)c(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C26H27NO2/c28-26(29)16-22-11-10-21-15-25(27-12-4-1-5-13-27)24(17-23(21)22)20-9-8-18-6-2-3-7-19(18)14-20/h2-3,6-9,14-15,17,22H,1,4-5,10-13,16H2,(H,28,29)
InChIKeyDYVSAHSIJUPDPT-UHFFFAOYSA-N
MW385.51 g/mol
LogP6.00
Rot. Bonds4

About 2-(6-naphthalen-2-yl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)acetic acid

2-(6-naphthalen-2-yl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)acetic acid (PubChem CID 68856397) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-(6-naphthalen-2-yl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-naphthalen-2-yl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)acetic acid
PubChem CID68856397
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name2-(6-naphthalen-2-yl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)acetic acid
SMILESO=C(O)CC1CCc2cc(N3CCCCC3)c(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C26H27NO2/c28-26(29)16-22-11-10-21-15-25(27-12-4-1-5-13-27)24(17-23(21)22)20-9-8-18-6-2-3-7-19(18)14-20/h2-3,6-9,14-15,17,22H,1,4-5,10-13,16H2,(H,28,29)
InChIKeyDYVSAHSIJUPDPT-UHFFFAOYSA-N
XLogP6.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-naphthalen-2-yl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)acetic acid?
The IUPAC name of 2-(6-naphthalen-2-yl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)acetic acid (CID 68856397) is 2-(6-naphthalen-2-yl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)acetic acid.
What is the SMILES notation for 2-(6-naphthalen-2-yl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)acetic acid?
The canonical SMILES for 2-(6-naphthalen-2-yl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)acetic acid is O=C(O)CC1CCc2cc(N3CCCCC3)c(-c3ccc4ccccc4c3)cc21.
What is the InChIKey of 2-(6-naphthalen-2-yl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)acetic acid?
The InChIKey is DYVSAHSIJUPDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2/c28-26(29)16-22-11-10-21-15-25(27-12-4-1-5-13-27)24(17-23(21)22)20-9-8-18-6-2-3-7-19(18)14-20/h2-3,6-9,14-15,17,22H,1,4-5,10-13,16H2,(H,28,29).
What are the key properties of 2-(6-naphthalen-2-yl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)acetic acid?
2-(6-naphthalen-2-yl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)acetic acid has a molecular weight of 385.51 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-naphthalen-2-yl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)acetic acid is sourced from PubChem (CID 68856397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).