4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one

C27H24N2O2 — CID 23855199

IUPAC4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one
SMILESO=C1c2ccccc2-c2c1cccc2C(=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C27H24N2O2/c30-26-22-12-5-4-11-21(22)25-23(26)13-6-14-24(25)27(31)29-18-16-28(17-19-29)15-7-10-20-8-2-1-3-9-20/h1-14H,15-19H2
InChIKeyCPSFNESAPNORFW-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.37
Rot. Bonds4

About 4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one

4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one (PubChem CID 23855199) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one.

Molecular Properties

Compound Name4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one
PubChem CID23855199
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one
SMILESO=C1c2ccccc2-c2c1cccc2C(=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C27H24N2O2/c30-26-22-12-5-4-11-21(22)25-23(26)13-6-14-24(25)27(31)29-18-16-28(17-19-29)15-7-10-20-8-2-1-3-9-20/h1-14H,15-19H2
InChIKeyCPSFNESAPNORFW-UHFFFAOYSA-N
XLogP4.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 755573
(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4177112
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
2-[1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethylidene]indene-1,3-dione
CID 3744591
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 18167660
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2838766
1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione
CID 84557073
(3-hydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78785217
2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]isoindole-1,3-dione
CID 2301572
3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 55486029
(4-bromophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 1227467

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one?
The IUPAC name of 4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one (CID 23855199) is 4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one.
What is the SMILES notation for 4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one?
The canonical SMILES for 4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one is O=C1c2ccccc2-c2c1cccc2C(=O)N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one?
The InChIKey is CPSFNESAPNORFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c30-26-22-12-5-4-11-21(22)25-23(26)13-6-14-24(25)27(31)29-18-16-28(17-19-29)15-7-10-20-8-2-1-3-9-20/h1-14H,15-19H2.
What are the key properties of 4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one?
4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one has a molecular weight of 408.50 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one is sourced from PubChem (CID 23855199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).