N-[3-acetamido-5-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide

C22H23FN4O4 — CID 30855230

IUPACN-[3-acetamido-5-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c1
InChIInChI=1S/C22H23FN4O4/c1-14(28)24-19-11-17(12-20(13-19)25-15(2)29)22(31)27-8-6-26(7-9-27)21(30)16-4-3-5-18(23)10-16/h3-5,10-13H,6-9H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyXGZQQTCFAIADOB-UHFFFAOYSA-N
MW426.45 g/mol
LogP2.34
Rot. Bonds4

About N-[3-acetamido-5-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide

N-[3-acetamido-5-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 30855230) has the molecular formula C22H23FN4O4 and a molecular weight of 426.45 g/mol. Its IUPAC name is N-[3-acetamido-5-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-acetamido-5-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
PubChem CID30855230
Molecular FormulaC22H23FN4O4
Molecular Weight426.45 g/mol
Exact Mass426.17
IUPAC NameN-[3-acetamido-5-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c1
InChIInChI=1S/C22H23FN4O4/c1-14(28)24-19-11-17(12-20(13-19)25-15(2)29)22(31)27-8-6-26(7-9-27)21(30)16-4-3-5-18(23)10-16/h3-5,10-13H,6-9H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyXGZQQTCFAIADOB-UHFFFAOYSA-N
XLogP2.34
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17489391
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110365289
4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38724570
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119710242
2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021927
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
N-[3-acetamido-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
CID 24610391

Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-5-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-acetamido-5-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide (CID 30855230) is N-[3-acetamido-5-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-acetamido-5-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-acetamido-5-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c1.
What is the InChIKey of N-[3-acetamido-5-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is XGZQQTCFAIADOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O4/c1-14(28)24-19-11-17(12-20(13-19)25-15(2)29)22(31)27-8-6-26(7-9-27)21(30)16-4-3-5-18(23)10-16/h3-5,10-13H,6-9H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-[3-acetamido-5-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide?
N-[3-acetamido-5-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 426.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-5-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 30855230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).