1-[4-(3-phenylpiperidin-1-yl)butyl]-3H-indol-2-one

C23H28N2O — CID 42625267

IUPAC1-[4-(3-phenylpiperidin-1-yl)butyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCCCN1CCCC(c2ccccc2)C1
InChIInChI=1S/C23H28N2O/c26-23-17-20-11-4-5-13-22(20)25(23)16-7-6-14-24-15-8-12-21(18-24)19-9-2-1-3-10-19/h1-5,9-11,13,21H,6-8,12,14-18H2
InChIKeyZKPFKNIFSQQQET-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.24
Rot. Bonds6

About 1-[4-(3-phenylpiperidin-1-yl)butyl]-3H-indol-2-one

1-[4-(3-phenylpiperidin-1-yl)butyl]-3H-indol-2-one (PubChem CID 42625267) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[4-(3-phenylpiperidin-1-yl)butyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[4-(3-phenylpiperidin-1-yl)butyl]-3H-indol-2-one
PubChem CID42625267
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-[4-(3-phenylpiperidin-1-yl)butyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCCCN1CCCC(c2ccccc2)C1
InChIInChI=1S/C23H28N2O/c26-23-17-20-11-4-5-13-22(20)25(23)16-7-6-14-24-15-8-12-21(18-24)19-9-2-1-3-10-19/h1-5,9-11,13,21H,6-8,12,14-18H2
InChIKeyZKPFKNIFSQQQET-UHFFFAOYSA-N
XLogP4.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-phenylpiperidin-1-yl)butyl]-3H-indol-2-one?
The IUPAC name of 1-[4-(3-phenylpiperidin-1-yl)butyl]-3H-indol-2-one (CID 42625267) is 1-[4-(3-phenylpiperidin-1-yl)butyl]-3H-indol-2-one.
What is the SMILES notation for 1-[4-(3-phenylpiperidin-1-yl)butyl]-3H-indol-2-one?
The canonical SMILES for 1-[4-(3-phenylpiperidin-1-yl)butyl]-3H-indol-2-one is O=C1Cc2ccccc2N1CCCCN1CCCC(c2ccccc2)C1.
What is the InChIKey of 1-[4-(3-phenylpiperidin-1-yl)butyl]-3H-indol-2-one?
The InChIKey is ZKPFKNIFSQQQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c26-23-17-20-11-4-5-13-22(20)25(23)16-7-6-14-24-15-8-12-21(18-24)19-9-2-1-3-10-19/h1-5,9-11,13,21H,6-8,12,14-18H2.
What are the key properties of 1-[4-(3-phenylpiperidin-1-yl)butyl]-3H-indol-2-one?
1-[4-(3-phenylpiperidin-1-yl)butyl]-3H-indol-2-one has a molecular weight of 348.49 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-phenylpiperidin-1-yl)butyl]-3H-indol-2-one is sourced from PubChem (CID 42625267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).