(7-methoxy-9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone

C24H30N2O2 — CID 46871948

IUPAC(7-methoxy-9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone
SMILESCCCCCn1c2ccc(C(=O)N3CCCCC3)cc2c2ccc(OC)cc21
InChIInChI=1S/C24H30N2O2/c1-3-4-6-15-26-22-12-9-18(24(27)25-13-7-5-8-14-25)16-21(22)20-11-10-19(28-2)17-23(20)26/h9-12,16-17H,3-8,13-15H2,1-2H3
InChIKeyLHILAHDXYGCIPJ-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.62
Rot. Bonds6

About (7-methoxy-9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone

(7-methoxy-9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone (PubChem CID 46871948) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (7-methoxy-9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(7-methoxy-9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone
PubChem CID46871948
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(7-methoxy-9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone
SMILESCCCCCn1c2ccc(C(=O)N3CCCCC3)cc2c2ccc(OC)cc21
InChIInChI=1S/C24H30N2O2/c1-3-4-6-15-26-22-12-9-18(24(27)25-13-7-5-8-14-25)16-21(22)20-11-10-19(28-2)17-23(20)26/h9-12,16-17H,3-8,13-15H2,1-2H3
InChIKeyLHILAHDXYGCIPJ-UHFFFAOYSA-N
XLogP5.62
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.62
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 (7-methoxy-9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (7-methoxy-9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone (CID 46871948) is (7-methoxy-9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (7-methoxy-9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (7-methoxy-9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone is CCCCCn1c2ccc(C(=O)N3CCCCC3)cc2c2ccc(OC)cc21.
What is the InChIKey of (7-methoxy-9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone?
The InChIKey is LHILAHDXYGCIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-3-4-6-15-26-22-12-9-18(24(27)25-13-7-5-8-14-25)16-21(22)20-11-10-19(28-2)17-23(20)26/h9-12,16-17H,3-8,13-15H2,1-2H3.
What are the key properties of (7-methoxy-9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone?
(7-methoxy-9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone has a molecular weight of 378.52 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 46871948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).