N-[[3-(4-benzylpiperazin-1-yl)oxetan-3-yl]methyl]-N-phenylpropanamide

C24H31N3O2 — CID 126539532

IUPACN-[[3-(4-benzylpiperazin-1-yl)oxetan-3-yl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)COC1)c1ccccc1
InChIInChI=1S/C24H31N3O2/c1-2-23(28)27(22-11-7-4-8-12-22)18-24(19-29-20-24)26-15-13-25(14-16-26)17-21-9-5-3-6-10-21/h3-12H,2,13-20H2,1H3
InChIKeyHCYGWCRNGVMSHQ-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.02
Rot. Bonds7

About N-[[3-(4-benzylpiperazin-1-yl)oxetan-3-yl]methyl]-N-phenylpropanamide

N-[[3-(4-benzylpiperazin-1-yl)oxetan-3-yl]methyl]-N-phenylpropanamide (PubChem CID 126539532) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[[3-(4-benzylpiperazin-1-yl)oxetan-3-yl]methyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[[3-(4-benzylpiperazin-1-yl)oxetan-3-yl]methyl]-N-phenylpropanamide
PubChem CID126539532
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[[3-(4-benzylpiperazin-1-yl)oxetan-3-yl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)COC1)c1ccccc1
InChIInChI=1S/C24H31N3O2/c1-2-23(28)27(22-11-7-4-8-12-22)18-24(19-29-20-24)26-15-13-25(14-16-26)17-21-9-5-3-6-10-21/h3-12H,2,13-20H2,1H3
InChIKeyHCYGWCRNGVMSHQ-UHFFFAOYSA-N
XLogP3.02
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-benzylpiperazin-1-yl)oxetan-3-yl]methyl]-N-phenylpropanamide?
The IUPAC name of N-[[3-(4-benzylpiperazin-1-yl)oxetan-3-yl]methyl]-N-phenylpropanamide (CID 126539532) is N-[[3-(4-benzylpiperazin-1-yl)oxetan-3-yl]methyl]-N-phenylpropanamide.
What is the SMILES notation for N-[[3-(4-benzylpiperazin-1-yl)oxetan-3-yl]methyl]-N-phenylpropanamide?
The canonical SMILES for N-[[3-(4-benzylpiperazin-1-yl)oxetan-3-yl]methyl]-N-phenylpropanamide is CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)COC1)c1ccccc1.
What is the InChIKey of N-[[3-(4-benzylpiperazin-1-yl)oxetan-3-yl]methyl]-N-phenylpropanamide?
The InChIKey is HCYGWCRNGVMSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-2-23(28)27(22-11-7-4-8-12-22)18-24(19-29-20-24)26-15-13-25(14-16-26)17-21-9-5-3-6-10-21/h3-12H,2,13-20H2,1H3.
What are the key properties of N-[[3-(4-benzylpiperazin-1-yl)oxetan-3-yl]methyl]-N-phenylpropanamide?
N-[[3-(4-benzylpiperazin-1-yl)oxetan-3-yl]methyl]-N-phenylpropanamide has a molecular weight of 393.53 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-benzylpiperazin-1-yl)oxetan-3-yl]methyl]-N-phenylpropanamide is sourced from PubChem (CID 126539532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).