1H-indol-3-yl-(4-phenylpiperazin-1-yl)methanone

C19H19N3O — CID 1485570

IUPAC1H-indol-3-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H19N3O/c23-19(17-14-20-18-9-5-4-8-16(17)18)22-12-10-21(11-13-22)15-6-2-1-3-7-15/h1-9,14,20H,10-13H2
InChIKeyURPQMDBYKJOYOC-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.13
Rot. Bonds2

About 1H-indol-3-yl-(4-phenylpiperazin-1-yl)methanone

1H-indol-3-yl-(4-phenylpiperazin-1-yl)methanone (PubChem CID 1485570) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1H-indol-3-yl-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl-(4-phenylpiperazin-1-yl)methanone
PubChem CID1485570
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1H-indol-3-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H19N3O/c23-19(17-14-20-18-9-5-4-8-16(17)18)22-12-10-21(11-13-22)15-6-2-1-3-7-15/h1-9,14,20H,10-13H2
InChIKeyURPQMDBYKJOYOC-UHFFFAOYSA-N
XLogP3.13
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of 1H-indol-3-yl-(4-phenylpiperazin-1-yl)methanone (CID 1485570) is 1H-indol-3-yl-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for 1H-indol-3-yl-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for 1H-indol-3-yl-(4-phenylpiperazin-1-yl)methanone is O=C(c1c[nH]c2ccccc12)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1H-indol-3-yl-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is URPQMDBYKJOYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-19(17-14-20-18-9-5-4-8-16(17)18)22-12-10-21(11-13-22)15-6-2-1-3-7-15/h1-9,14,20H,10-13H2.
What are the key properties of 1H-indol-3-yl-(4-phenylpiperazin-1-yl)methanone?
1H-indol-3-yl-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 305.38 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 1485570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).