4-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide

C23H26FN3O2 — CID 1054983

IUPAC4-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(C(=O)N2CCCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O2/c24-18-8-6-17(7-9-18)22(28)25-19-10-11-21(26-12-2-1-3-13-26)20(16-19)23(29)27-14-4-5-15-27/h6-11,16H,1-5,12-15H2,(H,25,28)
InChIKeyZPKIGQOSXYFQLJ-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.30
Rot. Bonds4

About 4-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide

4-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 1054983) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID1054983
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name4-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(C(=O)N2CCCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O2/c24-18-8-6-17(7-9-18)22(28)25-19-10-11-21(26-12-2-1-3-13-26)20(16-19)23(29)27-14-4-5-15-27/h6-11,16H,1-5,12-15H2,(H,25,28)
InChIKeyZPKIGQOSXYFQLJ-UHFFFAOYSA-N
XLogP4.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1055003
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(piperidine-1-carbonyl)phenyl]-4-fluorobenzamide
CID 1063885
4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1059310
2-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1055001
2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1063788
4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 4018717
N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]-4-methoxybenzamide
CID 42678422
N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide
CID 1066165
1-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 1064185
N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
CID 42751185
3-fluoro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1059350
N-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]-2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]benzamide
CID 42678199

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 1054983) is 4-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide is O=C(Nc1ccc(N2CCCCC2)c(C(=O)N2CCCC2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is ZPKIGQOSXYFQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-18-8-6-17(7-9-18)22(28)25-19-10-11-21(26-12-2-1-3-13-26)20(16-19)23(29)27-14-4-5-15-27/h6-11,16H,1-5,12-15H2,(H,25,28).
What are the key properties of 4-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
4-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 395.48 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 1054983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).