N-[[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide

C24H30FN3O — CID 137371237

IUPACN-[[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccc(F)cc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C24H30FN3O/c1-2-23(29)28(22-6-4-3-5-7-22)19-24(12-13-24)27-16-14-26(15-17-27)18-20-8-10-21(25)11-9-20/h3-11H,2,12-19H2,1H3
InChIKeyPUJDYODHXXZLCQ-UHFFFAOYSA-N
MW395.52 g/mol
LogP3.92
Rot. Bonds7

About N-[[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide

N-[[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide (PubChem CID 137371237) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is N-[[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide
PubChem CID137371237
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC NameN-[[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccc(F)cc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C24H30FN3O/c1-2-23(29)28(22-6-4-3-5-7-22)19-24(12-13-24)27-16-14-26(15-17-27)18-20-8-10-21(25)11-9-20/h3-11H,2,12-19H2,1H3
InChIKeyPUJDYODHXXZLCQ-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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Related Compounds

N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide
CID 126539472
N-[[1-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide
CID 137371192
N-[[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]oxan-4-yl]methyl]-N-phenylpropanamide
CID 126539476
N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide
CID 137371248
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-(5-fluoro-3-pyridinyl)propanamide
CID 126508959
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-methoxyphenyl)propanamide
CID 126509200
1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea
CID 126507084
N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide
CID 126539534
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide
CID 126508904
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-2-methoxy-N-phenylacetamide
CID 137371296
N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide
CID 139471542
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 137371452

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide?
The IUPAC name of N-[[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide (CID 137371237) is N-[[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide.
What is the SMILES notation for N-[[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide?
The canonical SMILES for N-[[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide is CCC(=O)N(CC1(N2CCN(Cc3ccc(F)cc3)CC2)CC1)c1ccccc1.
What is the InChIKey of N-[[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide?
The InChIKey is PUJDYODHXXZLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-2-23(29)28(22-6-4-3-5-7-22)19-24(12-13-24)27-16-14-26(15-17-27)18-20-8-10-21(25)11-9-20/h3-11H,2,12-19H2,1H3.
What are the key properties of N-[[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide?
N-[[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide 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-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide is sourced from PubChem (CID 137371237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).