N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-4-fluorobenzamide

C27H26FN3O2 — CID 72549808

IUPACN-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-4-fluorobenzamide
SMILESO=C(NCCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(F)cc1
InChIInChI=1S/C27H26FN3O2/c28-20-11-9-19(10-12-20)27(33)29-14-13-25(32)30-15-17-31(18-16-30)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26/h1-12,26H,13-18H2,(H,29,33)
InChIKeyJVNCNNFJZNBEEZ-UHFFFAOYSA-N
MW443.52 g/mol
LogP3.86
Rot. Bonds5

About N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-4-fluorobenzamide

N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-4-fluorobenzamide (PubChem CID 72549808) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-4-fluorobenzamide
PubChem CID72549808
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC NameN-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-4-fluorobenzamide
SMILESO=C(NCCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(F)cc1
InChIInChI=1S/C27H26FN3O2/c28-20-11-9-19(10-12-20)27(33)29-14-13-25(32)30-15-17-31(18-16-30)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26/h1-12,26H,13-18H2,(H,29,33)
InChIKeyJVNCNNFJZNBEEZ-UHFFFAOYSA-N
XLogP3.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-3-phenylpropanamide
CID 72549809
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-fluorobenzamide
CID 110371002
4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide
CID 110903684
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluorobenzamide
CID 119373798
4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide
CID 119489602
4-benzoyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157014
4-chloro-N-[3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 25471182
4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964230
4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide
CID 56747786

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-4-fluorobenzamide?
The IUPAC name of N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-4-fluorobenzamide (CID 72549808) is N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-4-fluorobenzamide is O=C(NCCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-4-fluorobenzamide?
The InChIKey is JVNCNNFJZNBEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2/c28-20-11-9-19(10-12-20)27(33)29-14-13-25(32)30-15-17-31(18-16-30)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26/h1-12,26H,13-18H2,(H,29,33).
What are the key properties of N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-4-fluorobenzamide?
N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-4-fluorobenzamide has a molecular weight of 443.52 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-4-fluorobenzamide is sourced from PubChem (CID 72549808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).