[4-(1H-indole-6-carbonyl)piperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone

C27H25N3O3 — CID 46880461

IUPAC[4-(1H-indole-6-carbonyl)piperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
SMILESCOc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)cc2)c1
InChIInChI=1S/C27H25N3O3/c1-33-24-4-2-3-22(17-24)19-5-8-21(9-6-19)26(31)29-13-15-30(16-14-29)27(32)23-10-7-20-11-12-28-25(20)18-23/h2-12,17-18,28H,13-16H2,1H3
InChIKeyHPSDXVNWULGZMH-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.44
Rot. Bonds4

About [4-(1H-indole-6-carbonyl)piperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone

[4-(1H-indole-6-carbonyl)piperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone (PubChem CID 46880461) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is [4-(1H-indole-6-carbonyl)piperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1H-indole-6-carbonyl)piperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
PubChem CID46880461
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name[4-(1H-indole-6-carbonyl)piperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
SMILESCOc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)cc2)c1
InChIInChI=1S/C27H25N3O3/c1-33-24-4-2-3-22(17-24)19-5-8-21(9-6-19)26(31)29-13-15-30(16-14-29)27(32)23-10-7-20-11-12-28-25(20)18-23/h2-12,17-18,28H,13-16H2,1H3
InChIKeyHPSDXVNWULGZMH-UHFFFAOYSA-N
XLogP4.44
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-indole-6-carbonyl)piperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone?
The IUPAC name of [4-(1H-indole-6-carbonyl)piperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone (CID 46880461) is [4-(1H-indole-6-carbonyl)piperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone.
What is the SMILES notation for [4-(1H-indole-6-carbonyl)piperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone?
The canonical SMILES for [4-(1H-indole-6-carbonyl)piperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone is COc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)cc2)c1.
What is the InChIKey of [4-(1H-indole-6-carbonyl)piperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone?
The InChIKey is HPSDXVNWULGZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-33-24-4-2-3-22(17-24)19-5-8-21(9-6-19)26(31)29-13-15-30(16-14-29)27(32)23-10-7-20-11-12-28-25(20)18-23/h2-12,17-18,28H,13-16H2,1H3.
What are the key properties of [4-(1H-indole-6-carbonyl)piperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone?
[4-(1H-indole-6-carbonyl)piperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone has a molecular weight of 439.52 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indole-6-carbonyl)piperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone is sourced from PubChem (CID 46880461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).