2,3-dihydro-1H-inden-2-yl-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone

C18H23NO2 — CID 138381348

IUPAC2,3-dihydro-1H-inden-2-yl-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone
SMILESO=C(C1Cc2ccccc2C1)N1CCCC(C2(O)CC2)C1
InChIInChI=1S/C18H23NO2/c20-17(15-10-13-4-1-2-5-14(13)11-15)19-9-3-6-16(12-19)18(21)7-8-18/h1-2,4-5,15-16,21H,3,6-12H2
InChIKeyCHCPGVCAEJPHLF-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.16
Rot. Bonds2

About 2,3-dihydro-1H-inden-2-yl-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone

2,3-dihydro-1H-inden-2-yl-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone (PubChem CID 138381348) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone
PubChem CID138381348
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2,3-dihydro-1H-inden-2-yl-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone
SMILESO=C(C1Cc2ccccc2C1)N1CCCC(C2(O)CC2)C1
InChIInChI=1S/C18H23NO2/c20-17(15-10-13-4-1-2-5-14(13)11-15)19-9-3-6-16(12-19)18(21)7-8-18/h1-2,4-5,15-16,21H,3,6-12H2
InChIKeyCHCPGVCAEJPHLF-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone (CID 138381348) is 2,3-dihydro-1H-inden-2-yl-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone is O=C(C1Cc2ccccc2C1)N1CCCC(C2(O)CC2)C1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone?
The InChIKey is CHCPGVCAEJPHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-17(15-10-13-4-1-2-5-14(13)11-15)19-9-3-6-16(12-19)18(21)7-8-18/h1-2,4-5,15-16,21H,3,6-12H2.
What are the key properties of 2,3-dihydro-1H-inden-2-yl-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone?
2,3-dihydro-1H-inden-2-yl-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone has a molecular weight of 285.39 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 138381348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).