(9-hexylcarbazol-3-yl)-piperidin-1-ylmethanone

C24H30N2O — CID 73357171

IUPAC(9-hexylcarbazol-3-yl)-piperidin-1-ylmethanone
SMILESCCCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C24H30N2O/c1-2-3-4-10-17-26-22-12-7-6-11-20(22)21-18-19(13-14-23(21)26)24(27)25-15-8-5-9-16-25/h6-7,11-14,18H,2-5,8-10,15-17H2,1H3
InChIKeyNYEDXSGEEHGJAU-UHFFFAOYSA-N
MW362.52 g/mol
LogP6.00
Rot. Bonds6

About (9-hexylcarbazol-3-yl)-piperidin-1-ylmethanone

(9-hexylcarbazol-3-yl)-piperidin-1-ylmethanone (PubChem CID 73357171) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is (9-hexylcarbazol-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(9-hexylcarbazol-3-yl)-piperidin-1-ylmethanone
PubChem CID73357171
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name(9-hexylcarbazol-3-yl)-piperidin-1-ylmethanone
SMILESCCCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C24H30N2O/c1-2-3-4-10-17-26-22-12-7-6-11-20(22)21-18-19(13-14-23(21)26)24(27)25-15-8-5-9-16-25/h6-7,11-14,18H,2-5,8-10,15-17H2,1H3
InChIKeyNYEDXSGEEHGJAU-UHFFFAOYSA-N
XLogP6.00
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (9-hexylcarbazol-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (9-hexylcarbazol-3-yl)-piperidin-1-ylmethanone (CID 73357171) is (9-hexylcarbazol-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (9-hexylcarbazol-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (9-hexylcarbazol-3-yl)-piperidin-1-ylmethanone is CCCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21.
What is the InChIKey of (9-hexylcarbazol-3-yl)-piperidin-1-ylmethanone?
The InChIKey is NYEDXSGEEHGJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-2-3-4-10-17-26-22-12-7-6-11-20(22)21-18-19(13-14-23(21)26)24(27)25-15-8-5-9-16-25/h6-7,11-14,18H,2-5,8-10,15-17H2,1H3.
What are the key properties of (9-hexylcarbazol-3-yl)-piperidin-1-ylmethanone?
(9-hexylcarbazol-3-yl)-piperidin-1-ylmethanone has a molecular weight of 362.52 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-hexylcarbazol-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 73357171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).