2-(4-methylpiperazin-1-yl)-1-(9-pentylcarbazol-3-yl)ethanone

C24H31N3O — CID 73354101

IUPAC2-(4-methylpiperazin-1-yl)-1-(9-pentylcarbazol-3-yl)ethanone
SMILESCCCCCn1c2ccccc2c2cc(C(=O)CN3CCN(C)CC3)ccc21
InChIInChI=1S/C24H31N3O/c1-3-4-7-12-27-22-9-6-5-8-20(22)21-17-19(10-11-23(21)27)24(28)18-26-15-13-25(2)14-16-26/h5-6,8-11,17H,3-4,7,12-16,18H2,1-2H3
InChIKeyVVZHXQWFMJFZJS-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.41
Rot. Bonds7

About 2-(4-methylpiperazin-1-yl)-1-(9-pentylcarbazol-3-yl)ethanone

2-(4-methylpiperazin-1-yl)-1-(9-pentylcarbazol-3-yl)ethanone (PubChem CID 73354101) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-(9-pentylcarbazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-(9-pentylcarbazol-3-yl)ethanone
PubChem CID73354101
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name2-(4-methylpiperazin-1-yl)-1-(9-pentylcarbazol-3-yl)ethanone
SMILESCCCCCn1c2ccccc2c2cc(C(=O)CN3CCN(C)CC3)ccc21
InChIInChI=1S/C24H31N3O/c1-3-4-7-12-27-22-9-6-5-8-20(22)21-17-19(10-11-23(21)27)24(28)18-26-15-13-25(2)14-16-26/h5-6,8-11,17H,3-4,7,12-16,18H2,1-2H3
InChIKeyVVZHXQWFMJFZJS-UHFFFAOYSA-N
XLogP4.41
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(9-pentylcarbazol-3-yl)ethanone?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(9-pentylcarbazol-3-yl)ethanone (CID 73354101) is 2-(4-methylpiperazin-1-yl)-1-(9-pentylcarbazol-3-yl)ethanone.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-(9-pentylcarbazol-3-yl)ethanone?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-(9-pentylcarbazol-3-yl)ethanone is CCCCCn1c2ccccc2c2cc(C(=O)CN3CCN(C)CC3)ccc21.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-(9-pentylcarbazol-3-yl)ethanone?
The InChIKey is VVZHXQWFMJFZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-3-4-7-12-27-22-9-6-5-8-20(22)21-17-19(10-11-23(21)27)24(28)18-26-15-13-25(2)14-16-26/h5-6,8-11,17H,3-4,7,12-16,18H2,1-2H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-(9-pentylcarbazol-3-yl)ethanone?
2-(4-methylpiperazin-1-yl)-1-(9-pentylcarbazol-3-yl)ethanone has a molecular weight of 377.53 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-(9-pentylcarbazol-3-yl)ethanone is sourced from PubChem (CID 73354101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).