[(2S)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone

C15H20N2O2 — CID 61149170

IUPAC[(2S)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C([C@@H]1Cc2ccccc2N1)N1CCC(CO)CC1
InChIInChI=1S/C15H20N2O2/c18-10-11-5-7-17(8-6-11)15(19)14-9-12-3-1-2-4-13(12)16-14/h1-4,11,14,16,18H,5-10H2/t14-/m0/s1
InChIKeyZMMLMFQRWDJOAS-AWEZNQCLSA-N
MW260.34 g/mol
LogP1.25
Rot. Bonds2

About [(2S)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone

[(2S)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 61149170) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [(2S)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID61149170
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[(2S)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C([C@@H]1Cc2ccccc2N1)N1CCC(CO)CC1
InChIInChI=1S/C15H20N2O2/c18-10-11-5-7-17(8-6-11)15(19)14-9-12-3-1-2-4-13(12)16-14/h1-4,11,14,16,18H,5-10H2/t14-/m0/s1
InChIKeyZMMLMFQRWDJOAS-AWEZNQCLSA-N
XLogP1.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [(2S)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 61149170) is [(2S)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2S)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [(2S)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone is O=C([C@@H]1Cc2ccccc2N1)N1CCC(CO)CC1.
What is the InChIKey of [(2S)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is ZMMLMFQRWDJOAS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-10-11-5-7-17(8-6-11)15(19)14-9-12-3-1-2-4-13(12)16-14/h1-4,11,14,16,18H,5-10H2/t14-/m0/s1.
What are the key properties of [(2S)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
[(2S)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 260.34 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 61149170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).