N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluorophenyl)propanamide

C24H30FN3O — CID 126509960

IUPACN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluorophenyl)propanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1cccc(F)c1
InChIInChI=1S/C24H30FN3O/c1-2-23(29)28(22-10-6-9-21(25)17-22)19-24(11-12-24)27-15-13-26(14-16-27)18-20-7-4-3-5-8-20/h3-10,17H,2,11-16,18-19H2,1H3
InChIKeyWEBBOVFNGZGZLV-UHFFFAOYSA-N
MW395.52 g/mol
LogP3.92
Rot. Bonds7

About N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluorophenyl)propanamide

N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluorophenyl)propanamide (PubChem CID 126509960) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluorophenyl)propanamide
PubChem CID126509960
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC NameN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluorophenyl)propanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1cccc(F)c1
InChIInChI=1S/C24H30FN3O/c1-2-23(29)28(22-10-6-9-21(25)17-22)19-24(11-12-24)27-15-13-26(14-16-27)18-20-7-4-3-5-8-20/h3-10,17H,2,11-16,18-19H2,1H3
InChIKeyWEBBOVFNGZGZLV-UHFFFAOYSA-N
XLogP3.92
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluorophenyl)propanamide?
The IUPAC name of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluorophenyl)propanamide (CID 126509960) is N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluorophenyl)propanamide is CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1cccc(F)c1.
What is the InChIKey of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluorophenyl)propanamide?
The InChIKey is WEBBOVFNGZGZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-2-23(29)28(22-10-6-9-21(25)17-22)19-24(11-12-24)27-15-13-26(14-16-27)18-20-7-4-3-5-8-20/h3-10,17H,2,11-16,18-19H2,1H3.
What are the key properties of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluorophenyl)propanamide?
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluorophenyl)propanamide has a molecular weight of 395.52 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 126509960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).