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

C23H28N2O — CID 46871949

IUPAC(9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone
SMILESCCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H28N2O/c1-2-3-7-16-25-21-11-6-5-10-19(21)20-17-18(12-13-22(20)25)23(26)24-14-8-4-9-15-24/h5-6,10-13,17H,2-4,7-9,14-16H2,1H3
InChIKeyNZEVKZAEMSMLMC-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.61
Rot. Bonds5

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

(9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone (PubChem CID 46871949) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is (9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone
PubChem CID46871949
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name(9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone
SMILESCCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H28N2O/c1-2-3-7-16-25-21-11-6-5-10-19(21)20-17-18(12-13-22(20)25)23(26)24-14-8-4-9-15-24/h5-6,10-13,17H,2-4,7-9,14-16H2,1H3
InChIKeyNZEVKZAEMSMLMC-UHFFFAOYSA-N
XLogP5.61
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.61
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-pentylcarbazol-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone (CID 46871949) is (9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone is CCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21.
What is the InChIKey of (9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone?
The InChIKey is NZEVKZAEMSMLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-2-3-7-16-25-21-11-6-5-10-19(21)20-17-18(12-13-22(20)25)23(26)24-14-8-4-9-15-24/h5-6,10-13,17H,2-4,7-9,14-16H2,1H3.
What are the key properties of (9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone?
(9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone has a molecular weight of 348.49 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-pentylcarbazol-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 46871949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).