[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone

C24H25N3O2 — CID 2165724

IUPAC[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCn1c2ccccc2c2cc(CN3CCN(C(=O)c4ccco4)CC3)ccc21
InChIInChI=1S/C24H25N3O2/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
InChIKeyLGAKMXJVXYINAE-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.37
Rot. Bonds4

About [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 2165724) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID2165724
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCn1c2ccccc2c2cc(CN3CCN(C(=O)c4ccco4)CC3)ccc21
InChIInChI=1S/C24H25N3O2/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
InChIKeyLGAKMXJVXYINAE-UHFFFAOYSA-N
XLogP4.37
TPSA41.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.37
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]-(furan-2-yl)methanone?
The IUPAC name of [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 2165724) is [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone is CCn1c2ccccc2c2cc(CN3CCN(C(=O)c4ccco4)CC3)ccc21.
What is the InChIKey of [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is LGAKMXJVXYINAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/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]-(furan-2-yl)methanone?
[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 387.48 g/mol, XLogP of 4.37, 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]-(furan-2-yl)methanone is sourced from PubChem (CID 2165724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).