1-[2-(9H-fluoren-1-yl)piperidin-1-yl]-2-methylprop-2-en-1-one

C22H23NO — CID 151393743

IUPAC1-[2-(9H-fluoren-1-yl)piperidin-1-yl]-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CCCCC1c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C22H23NO/c1-15(2)22(24)23-13-6-5-12-21(23)19-11-7-10-18-17-9-4-3-8-16(17)14-20(18)19/h3-4,7-11,21H,1,5-6,12-14H2,2H3
InChIKeyOUZWFWAXDQQKML-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.89
Rot. Bonds2

About 1-[2-(9H-fluoren-1-yl)piperidin-1-yl]-2-methylprop-2-en-1-one

1-[2-(9H-fluoren-1-yl)piperidin-1-yl]-2-methylprop-2-en-1-one (PubChem CID 151393743) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[2-(9H-fluoren-1-yl)piperidin-1-yl]-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-[2-(9H-fluoren-1-yl)piperidin-1-yl]-2-methylprop-2-en-1-one
PubChem CID151393743
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name1-[2-(9H-fluoren-1-yl)piperidin-1-yl]-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CCCCC1c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C22H23NO/c1-15(2)22(24)23-13-6-5-12-21(23)19-11-7-10-18-17-9-4-3-8-16(17)14-20(18)19/h3-4,7-11,21H,1,5-6,12-14H2,2H3
InChIKeyOUZWFWAXDQQKML-UHFFFAOYSA-N
XLogP4.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[2-(9H-fluoren-1-yl)piperidin-1-yl]-2-methylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(9H-fluoren-1-yl)-2-methylprop-2-en-1-one;hydrate
CID 172842462
1-(3-methylidenecyclohexyl)-9H-fluorene
CID 175175773
9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
2-methyl-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 175657108
3-(9H-fluoren-1-yl)-7-oxabicyclo[4.1.0]heptane
CID 150882021
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone
CID 119336658
1-[(9R)-9,10-dihydrophenanthren-9-yl]ethanone
CID 102253511
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methylpent-4-en-1-one
CID 114473574
4-(9H-fluoren-1-yl)cyclohexan-1-amine
CID 150000864
acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene
CID 162313144
4-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119336667

Frequently Asked Questions

What is the IUPAC name of 1-[2-(9H-fluoren-1-yl)piperidin-1-yl]-2-methylprop-2-en-1-one?
The IUPAC name of 1-[2-(9H-fluoren-1-yl)piperidin-1-yl]-2-methylprop-2-en-1-one (CID 151393743) is 1-[2-(9H-fluoren-1-yl)piperidin-1-yl]-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-[2-(9H-fluoren-1-yl)piperidin-1-yl]-2-methylprop-2-en-1-one?
The canonical SMILES for 1-[2-(9H-fluoren-1-yl)piperidin-1-yl]-2-methylprop-2-en-1-one is C=C(C)C(=O)N1CCCCC1c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-[2-(9H-fluoren-1-yl)piperidin-1-yl]-2-methylprop-2-en-1-one?
The InChIKey is OUZWFWAXDQQKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-15(2)22(24)23-13-6-5-12-21(23)19-11-7-10-18-17-9-4-3-8-16(17)14-20(18)19/h3-4,7-11,21H,1,5-6,12-14H2,2H3.
What are the key properties of 1-[2-(9H-fluoren-1-yl)piperidin-1-yl]-2-methylprop-2-en-1-one?
1-[2-(9H-fluoren-1-yl)piperidin-1-yl]-2-methylprop-2-en-1-one has a molecular weight of 317.43 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(9H-fluoren-1-yl)piperidin-1-yl]-2-methylprop-2-en-1-one is sourced from PubChem (CID 151393743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).