1-(piperidin-1-ylmethyl)-3-(1H-pyrrol-2-ylmethylidene)indol-2-one

C19H21N3O — CID 72747908

IUPAC1-(piperidin-1-ylmethyl)-3-(1H-pyrrol-2-ylmethylidene)indol-2-one
SMILESO=C1C(=Cc2ccc[nH]2)c2ccccc2N1CN1CCCCC1
InChIInChI=1S/C19H21N3O/c23-19-17(13-15-7-6-10-20-15)16-8-2-3-9-18(16)22(19)14-21-11-4-1-5-12-21/h2-3,6-10,13,20H,1,4-5,11-12,14H2
InChIKeyPRSUSVFFBBXWQI-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.35
Rot. Bonds3

About 1-(piperidin-1-ylmethyl)-3-(1H-pyrrol-2-ylmethylidene)indol-2-one

1-(piperidin-1-ylmethyl)-3-(1H-pyrrol-2-ylmethylidene)indol-2-one (PubChem CID 72747908) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(piperidin-1-ylmethyl)-3-(1H-pyrrol-2-ylmethylidene)indol-2-one.

Molecular Properties

Compound Name1-(piperidin-1-ylmethyl)-3-(1H-pyrrol-2-ylmethylidene)indol-2-one
PubChem CID72747908
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-(piperidin-1-ylmethyl)-3-(1H-pyrrol-2-ylmethylidene)indol-2-one
SMILESO=C1C(=Cc2ccc[nH]2)c2ccccc2N1CN1CCCCC1
InChIInChI=1S/C19H21N3O/c23-19-17(13-15-7-6-10-20-15)16-8-2-3-9-18(16)22(19)14-21-11-4-1-5-12-21/h2-3,6-10,13,20H,1,4-5,11-12,14H2
InChIKeyPRSUSVFFBBXWQI-UHFFFAOYSA-N
XLogP3.35
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-1-ylmethyl)-3-(1H-pyrrol-2-ylmethylidene)indol-2-one?
The IUPAC name of 1-(piperidin-1-ylmethyl)-3-(1H-pyrrol-2-ylmethylidene)indol-2-one (CID 72747908) is 1-(piperidin-1-ylmethyl)-3-(1H-pyrrol-2-ylmethylidene)indol-2-one.
What is the SMILES notation for 1-(piperidin-1-ylmethyl)-3-(1H-pyrrol-2-ylmethylidene)indol-2-one?
The canonical SMILES for 1-(piperidin-1-ylmethyl)-3-(1H-pyrrol-2-ylmethylidene)indol-2-one is O=C1C(=Cc2ccc[nH]2)c2ccccc2N1CN1CCCCC1.
What is the InChIKey of 1-(piperidin-1-ylmethyl)-3-(1H-pyrrol-2-ylmethylidene)indol-2-one?
The InChIKey is PRSUSVFFBBXWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-19-17(13-15-7-6-10-20-15)16-8-2-3-9-18(16)22(19)14-21-11-4-1-5-12-21/h2-3,6-10,13,20H,1,4-5,11-12,14H2.
What are the key properties of 1-(piperidin-1-ylmethyl)-3-(1H-pyrrol-2-ylmethylidene)indol-2-one?
1-(piperidin-1-ylmethyl)-3-(1H-pyrrol-2-ylmethylidene)indol-2-one has a molecular weight of 307.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-1-ylmethyl)-3-(1H-pyrrol-2-ylmethylidene)indol-2-one is sourced from PubChem (CID 72747908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).