[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone

C24H25N3OS — CID 4561205

IUPAC[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCCn1c2ccccc2c2cc(CN3CCN(C(=O)c4cccs4)CC3)ccc21
InChIInChI=1S/C24H25N3OS/c1-2-27-21-7-4-3-6-19(21)20-16-18(9-10-22(20)27)17-25-11-13-26(14-12-25)24(28)23-8-5-15-29-23/h3-10,15-16H,2,11-14,17H2,1H3
InChIKeyGHGKDYVOXMAZQR-UHFFFAOYSA-N
MW403.55 g/mol
LogP4.83
Rot. Bonds4

About [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 4561205) has the molecular formula C24H25N3OS and a molecular weight of 403.55 g/mol. Its IUPAC name is [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID4561205
Molecular FormulaC24H25N3OS
Molecular Weight403.55 g/mol
Exact Mass403.17
IUPAC Name[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCCn1c2ccccc2c2cc(CN3CCN(C(=O)c4cccs4)CC3)ccc21
InChIInChI=1S/C24H25N3OS/c1-2-27-21-7-4-3-6-19(21)20-16-18(9-10-22(20)27)17-25-11-13-26(14-12-25)24(28)23-8-5-15-29-23/h3-10,15-16H,2,11-14,17H2,1H3
InChIKeyGHGKDYVOXMAZQR-UHFFFAOYSA-N
XLogP4.83
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 4561205) is [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone is CCn1c2ccccc2c2cc(CN3CCN(C(=O)c4cccs4)CC3)ccc21.
What is the InChIKey of [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is GHGKDYVOXMAZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS/c1-2-27-21-7-4-3-6-19(21)20-16-18(9-10-22(20)27)17-25-11-13-26(14-12-25)24(28)23-8-5-15-29-23/h3-10,15-16H,2,11-14,17H2,1H3.
What are the key properties of [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 403.55 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 4561205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).