N-[3-(4-bromoanilino)-3-oxopropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide

C22H23BrFN3O3 — CID 55951069

IUPACN-[3-(4-bromoanilino)-3-oxopropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESO=C(CCNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)Nc1ccc(Br)cc1
InChIInChI=1S/C22H23BrFN3O3/c23-17-5-9-19(10-6-17)26-20(28)11-12-25-21(29)16-2-1-13-27(14-16)22(30)15-3-7-18(24)8-4-15/h3-10,16H,1-2,11-14H2,(H,25,29)(H,26,28)
InChIKeyDZJWWJJOLZWSJI-UHFFFAOYSA-N
MW476.35 g/mol
LogP3.59
Rot. Bonds6

About N-[3-(4-bromoanilino)-3-oxopropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide

N-[3-(4-bromoanilino)-3-oxopropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 55951069) has the molecular formula C22H23BrFN3O3 and a molecular weight of 476.35 g/mol. Its IUPAC name is N-[3-(4-bromoanilino)-3-oxopropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromoanilino)-3-oxopropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID55951069
Molecular FormulaC22H23BrFN3O3
Molecular Weight476.35 g/mol
Exact Mass475.09
IUPAC NameN-[3-(4-bromoanilino)-3-oxopropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESO=C(CCNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)Nc1ccc(Br)cc1
InChIInChI=1S/C22H23BrFN3O3/c23-17-5-9-19(10-6-17)26-20(28)11-12-25-21(29)16-2-1-13-27(14-16)22(30)15-3-7-18(24)8-4-15/h3-10,16H,1-2,11-14H2,(H,25,29)(H,26,28)
InChIKeyDZJWWJJOLZWSJI-UHFFFAOYSA-N
XLogP3.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.35
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78854856
1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 46384498
(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729051
1-[4-(butanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 50827451
1-(4-fluorobenzoyl)-N-[4-(4-fluorophenoxy)butyl]piperidine-3-carboxamide
CID 55461620
N-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 166220457
N-(4-bromophenyl)-3-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]propanamide
CID 78896272
(3S)-N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51562316
1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
CID 51272724
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-[4-(butanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 50827281

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide (CID 55951069) is N-[3-(4-bromoanilino)-3-oxopropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-bromoanilino)-3-oxopropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(4-bromoanilino)-3-oxopropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide is O=C(CCNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)Nc1ccc(Br)cc1.
What is the InChIKey of N-[3-(4-bromoanilino)-3-oxopropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is DZJWWJJOLZWSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrFN3O3/c23-17-5-9-19(10-6-17)26-20(28)11-12-25-21(29)16-2-1-13-27(14-16)22(30)15-3-7-18(24)8-4-15/h3-10,16H,1-2,11-14H2,(H,25,29)(H,26,28).
What are the key properties of N-[3-(4-bromoanilino)-3-oxopropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
N-[3-(4-bromoanilino)-3-oxopropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 476.35 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromoanilino)-3-oxopropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55951069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).