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

C23H26FN3O2 — CID 1055003

IUPAC3-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(C(=O)N2CCCC2)c1)c1cccc(F)c1
InChIInChI=1S/C23H26FN3O2/c24-18-8-6-7-17(15-18)22(28)25-19-9-10-21(26-11-2-1-3-12-26)20(16-19)23(29)27-13-4-5-14-27/h6-10,15-16H,1-5,11-14H2,(H,25,28)
InChIKeyLLQNVORWGMCTCP-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.30
Rot. Bonds4

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

3-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 1055003) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID1055003
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name3-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(C(=O)N2CCCC2)c1)c1cccc(F)c1
InChIInChI=1S/C23H26FN3O2/c24-18-8-6-7-17(15-18)22(28)25-19-9-10-21(26-11-2-1-3-12-26)20(16-19)23(29)27-13-4-5-14-27/h6-10,15-16H,1-5,11-14H2,(H,25,28)
InChIKeyLLQNVORWGMCTCP-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

4-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1054983
4-[4-[(3-fluorobenzoyl)amino]-2-(pyrrolidine-1-carbonyl)phenyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42672076
3-fluoro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1059350
3-fluoro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42671914
4-[4-[(3-fluorobenzoyl)amino]-2-(pyrrolidine-1-carbonyl)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 42672081
3-fluoro-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42672566
N-[4-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42678536
3-fluoro-N-[4-[4-(2-phenylbutanoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42671961
3-fluoro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2971545
2-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1055001
3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide
CID 109056732
4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1059310

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 1055003) is 3-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide is O=C(Nc1ccc(N2CCCCC2)c(C(=O)N2CCCC2)c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is LLQNVORWGMCTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-18-8-6-7-17(15-18)22(28)25-19-9-10-21(26-11-2-1-3-12-26)20(16-19)23(29)27-13-4-5-14-27/h6-10,15-16H,1-5,11-14H2,(H,25,28).
What are the key properties of 3-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
3-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 3-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 1055003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).