N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide

C22H29FN6O3 — CID 86869220

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)NCCN3CCN(c4ccc(F)cc4)CC3)CC2)on1
InChIInChI=1S/C22H29FN6O3/c1-17-16-20(32-25-17)21(30)28-12-14-29(15-13-28)22(31)24-6-7-26-8-10-27(11-9-26)19-4-2-18(23)3-5-19/h2-5,16H,6-15H2,1H3,(H,24,31)
InChIKeyLKAHIRFDPRSFJS-UHFFFAOYSA-N
MW444.51 g/mol
LogP1.41
Rot. Bonds5

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide (PubChem CID 86869220) has the molecular formula C22H29FN6O3 and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide
PubChem CID86869220
Molecular FormulaC22H29FN6O3
Molecular Weight444.51 g/mol
Exact Mass444.23
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)NCCN3CCN(c4ccc(F)cc4)CC3)CC2)on1
InChIInChI=1S/C22H29FN6O3/c1-17-16-20(32-25-17)21(30)28-12-14-29(15-13-28)22(31)24-6-7-26-8-10-27(11-9-26)19-4-2-18(23)3-5-19/h2-5,16H,6-15H2,1H3,(H,24,31)
InChIKeyLKAHIRFDPRSFJS-UHFFFAOYSA-N
XLogP1.41
TPSA85.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide
CID 78892291
4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 86869124
3-ethyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 34993025
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide
CID 86869234
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]propanamide
CID 55960365
4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide
CID 108895046
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
N-(2-fluorophenyl)-3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]propanamide
CID 56524799
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
CID 42266695
4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109182
N-(2-morpholin-4-ylethyl)-4-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113106083

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide (CID 86869220) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide is Cc1cc(C(=O)N2CCN(C(=O)NCCN3CCN(c4ccc(F)cc4)CC3)CC2)on1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide?
The InChIKey is LKAHIRFDPRSFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN6O3/c1-17-16-20(32-25-17)21(30)28-12-14-29(15-13-28)22(31)24-6-7-26-8-10-27(11-9-26)19-4-2-18(23)3-5-19/h2-5,16H,6-15H2,1H3,(H,24,31).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 86869220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).