N-(9H-fluoren-9-ylmethoxy)-N-(2-piperidin-4-ylphenyl)formamide;hydrochloride

C26H27ClN2O2 — CID 87712798

IUPACN-(9H-fluoren-9-ylmethoxy)-N-(2-piperidin-4-ylphenyl)formamide;hydrochloride
SMILESCl.O=CN(OCC1c2ccccc2-c2ccccc21)c1ccccc1C1CCNCC1
InChIInChI=1S/C26H26N2O2.ClH/c29-18-28(26-12-6-5-7-20(26)19-13-15-27-16-14-19)30-17-25-23-10-3-1-8-21(23)22-9-2-4-11-24(22)25;/h1-12,18-19,25,27H,13-17H2;1H
InChIKeyXAAWTFFEYIBKHS-UHFFFAOYSA-N
MW434.97 g/mol
LogP5.28
Rot. Bonds6

About N-(9H-fluoren-9-ylmethoxy)-N-(2-piperidin-4-ylphenyl)formamide;hydrochloride

N-(9H-fluoren-9-ylmethoxy)-N-(2-piperidin-4-ylphenyl)formamide;hydrochloride (PubChem CID 87712798) has the molecular formula C26H27ClN2O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is N-(9H-fluoren-9-ylmethoxy)-N-(2-piperidin-4-ylphenyl)formamide;hydrochloride.

Molecular Properties

Compound NameN-(9H-fluoren-9-ylmethoxy)-N-(2-piperidin-4-ylphenyl)formamide;hydrochloride
PubChem CID87712798
Molecular FormulaC26H27ClN2O2
Molecular Weight434.97 g/mol
Exact Mass434.18
IUPAC NameN-(9H-fluoren-9-ylmethoxy)-N-(2-piperidin-4-ylphenyl)formamide;hydrochloride
SMILESCl.O=CN(OCC1c2ccccc2-c2ccccc21)c1ccccc1C1CCNCC1
InChIInChI=1S/C26H26N2O2.ClH/c29-18-28(26-12-6-5-7-20(26)19-13-15-27-16-14-19)30-17-25-23-10-3-1-8-21(23)22-9-2-4-11-24(22)25;/h1-12,18-19,25,27H,13-17H2;1H
InChIKeyXAAWTFFEYIBKHS-UHFFFAOYSA-N
XLogP5.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-9-ylmethoxy)-N-(2-piperidin-4-ylphenyl)formamide;hydrochloride?
The IUPAC name of N-(9H-fluoren-9-ylmethoxy)-N-(2-piperidin-4-ylphenyl)formamide;hydrochloride (CID 87712798) is N-(9H-fluoren-9-ylmethoxy)-N-(2-piperidin-4-ylphenyl)formamide;hydrochloride.
What is the SMILES notation for N-(9H-fluoren-9-ylmethoxy)-N-(2-piperidin-4-ylphenyl)formamide;hydrochloride?
The canonical SMILES for N-(9H-fluoren-9-ylmethoxy)-N-(2-piperidin-4-ylphenyl)formamide;hydrochloride is Cl.O=CN(OCC1c2ccccc2-c2ccccc21)c1ccccc1C1CCNCC1.
What is the InChIKey of N-(9H-fluoren-9-ylmethoxy)-N-(2-piperidin-4-ylphenyl)formamide;hydrochloride?
The InChIKey is XAAWTFFEYIBKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2.ClH/c29-18-28(26-12-6-5-7-20(26)19-13-15-27-16-14-19)30-17-25-23-10-3-1-8-21(23)22-9-2-4-11-24(22)25;/h1-12,18-19,25,27H,13-17H2;1H.
What are the key properties of N-(9H-fluoren-9-ylmethoxy)-N-(2-piperidin-4-ylphenyl)formamide;hydrochloride?
N-(9H-fluoren-9-ylmethoxy)-N-(2-piperidin-4-ylphenyl)formamide;hydrochloride has a molecular weight of 434.97 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-9-ylmethoxy)-N-(2-piperidin-4-ylphenyl)formamide;hydrochloride is sourced from PubChem (CID 87712798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).