1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone

C24H30N2O — CID 73348033

IUPAC1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone
SMILESCCCCCn1c2ccccc2c2cc(C(=O)CN3CCCCC3)ccc21
InChIInChI=1S/C24H30N2O/c1-2-3-7-16-26-22-11-6-5-10-20(22)21-17-19(12-13-23(21)26)24(27)18-25-14-8-4-9-15-25/h5-6,10-13,17H,2-4,7-9,14-16,18H2,1H3
InChIKeyXBLZZHYXIAAHDK-UHFFFAOYSA-N
MW362.52 g/mol
LogP5.65
Rot. Bonds7

About 1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone

1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone (PubChem CID 73348033) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone
PubChem CID73348033
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone
SMILESCCCCCn1c2ccccc2c2cc(C(=O)CN3CCCCC3)ccc21
InChIInChI=1S/C24H30N2O/c1-2-3-7-16-26-22-11-6-5-10-20(22)21-17-19(12-13-23(21)26)24(27)18-25-14-8-4-9-15-25/h5-6,10-13,17H,2-4,7-9,14-16,18H2,1H3
InChIKeyXBLZZHYXIAAHDK-UHFFFAOYSA-N
XLogP5.65
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone (CID 73348033) is 1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone is CCCCCn1c2ccccc2c2cc(C(=O)CN3CCCCC3)ccc21.
What is the InChIKey of 1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone?
The InChIKey is XBLZZHYXIAAHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-2-3-7-16-26-22-11-6-5-10-20(22)21-17-19(12-13-23(21)26)24(27)18-25-14-8-4-9-15-25/h5-6,10-13,17H,2-4,7-9,14-16,18H2,1H3.
What are the key properties of 1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone?
1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone has a molecular weight of 362.52 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 73348033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).