1-piperidin-4-yl-7-propyl-3H-indol-2-one

C16H22N2O — CID 84637451

IUPAC1-piperidin-4-yl-7-propyl-3H-indol-2-one
SMILESCCCc1cccc2c1N(C1CCNCC1)C(=O)C2
InChIInChI=1S/C16H22N2O/c1-2-4-12-5-3-6-13-11-15(19)18(16(12)13)14-7-9-17-10-8-14/h3,5-6,14,17H,2,4,7-11H2,1H3
InChIKeyPSODQWPBDQKKFC-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.28
Rot. Bonds3

About 1-piperidin-4-yl-7-propyl-3H-indol-2-one

1-piperidin-4-yl-7-propyl-3H-indol-2-one (PubChem CID 84637451) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-piperidin-4-yl-7-propyl-3H-indol-2-one.

Molecular Properties

Compound Name1-piperidin-4-yl-7-propyl-3H-indol-2-one
PubChem CID84637451
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-piperidin-4-yl-7-propyl-3H-indol-2-one
SMILESCCCc1cccc2c1N(C1CCNCC1)C(=O)C2
InChIInChI=1S/C16H22N2O/c1-2-4-12-5-3-6-13-11-15(19)18(16(12)13)14-7-9-17-10-8-14/h3,5-6,14,17H,2,4,7-11H2,1H3
InChIKeyPSODQWPBDQKKFC-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-7-propyl-3H-indol-2-one?
The IUPAC name of 1-piperidin-4-yl-7-propyl-3H-indol-2-one (CID 84637451) is 1-piperidin-4-yl-7-propyl-3H-indol-2-one.
What is the SMILES notation for 1-piperidin-4-yl-7-propyl-3H-indol-2-one?
The canonical SMILES for 1-piperidin-4-yl-7-propyl-3H-indol-2-one is CCCc1cccc2c1N(C1CCNCC1)C(=O)C2.
What is the InChIKey of 1-piperidin-4-yl-7-propyl-3H-indol-2-one?
The InChIKey is PSODQWPBDQKKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-4-12-5-3-6-13-11-15(19)18(16(12)13)14-7-9-17-10-8-14/h3,5-6,14,17H,2,4,7-11H2,1H3.
What are the key properties of 1-piperidin-4-yl-7-propyl-3H-indol-2-one?
1-piperidin-4-yl-7-propyl-3H-indol-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-7-propyl-3H-indol-2-one is sourced from PubChem (CID 84637451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).