(2-phenyl-1H-indol-3-yl)-[(3S)-piperidin-3-yl]methanone

C20H20N2O — CID 124510587

IUPAC(2-phenyl-1H-indol-3-yl)-[(3S)-piperidin-3-yl]methanone
SMILESO=C(c1c(-c2ccccc2)[nH]c2ccccc12)[C@H]1CCCNC1
InChIInChI=1S/C20H20N2O/c23-20(15-9-6-12-21-13-15)18-16-10-4-5-11-17(16)22-19(18)14-7-2-1-3-8-14/h1-5,7-8,10-11,15,21-22H,6,9,12-13H2/t15-/m0/s1
InChIKeyWDUAEZPXUALZIN-HNNXBMFYSA-N
MW304.39 g/mol
LogP4.02
Rot. Bonds3

About (2-phenyl-1H-indol-3-yl)-[(3S)-piperidin-3-yl]methanone

(2-phenyl-1H-indol-3-yl)-[(3S)-piperidin-3-yl]methanone (PubChem CID 124510587) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is (2-phenyl-1H-indol-3-yl)-[(3S)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name(2-phenyl-1H-indol-3-yl)-[(3S)-piperidin-3-yl]methanone
PubChem CID124510587
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name(2-phenyl-1H-indol-3-yl)-[(3S)-piperidin-3-yl]methanone
SMILESO=C(c1c(-c2ccccc2)[nH]c2ccccc12)[C@H]1CCCNC1
InChIInChI=1S/C20H20N2O/c23-20(15-9-6-12-21-13-15)18-16-10-4-5-11-17(16)22-19(18)14-7-2-1-3-8-14/h1-5,7-8,10-11,15,21-22H,6,9,12-13H2/t15-/m0/s1
InChIKeyWDUAEZPXUALZIN-HNNXBMFYSA-N
XLogP4.02
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1H-indol-3-yl)-[(3S)-piperidin-3-yl]methanone?
The IUPAC name of (2-phenyl-1H-indol-3-yl)-[(3S)-piperidin-3-yl]methanone (CID 124510587) is (2-phenyl-1H-indol-3-yl)-[(3S)-piperidin-3-yl]methanone.
What is the SMILES notation for (2-phenyl-1H-indol-3-yl)-[(3S)-piperidin-3-yl]methanone?
The canonical SMILES for (2-phenyl-1H-indol-3-yl)-[(3S)-piperidin-3-yl]methanone is O=C(c1c(-c2ccccc2)[nH]c2ccccc12)[C@H]1CCCNC1.
What is the InChIKey of (2-phenyl-1H-indol-3-yl)-[(3S)-piperidin-3-yl]methanone?
The InChIKey is WDUAEZPXUALZIN-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N2O/c23-20(15-9-6-12-21-13-15)18-16-10-4-5-11-17(16)22-19(18)14-7-2-1-3-8-14/h1-5,7-8,10-11,15,21-22H,6,9,12-13H2/t15-/m0/s1.
What are the key properties of (2-phenyl-1H-indol-3-yl)-[(3S)-piperidin-3-yl]methanone?
(2-phenyl-1H-indol-3-yl)-[(3S)-piperidin-3-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1H-indol-3-yl)-[(3S)-piperidin-3-yl]methanone is sourced from PubChem (CID 124510587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).