4-(4-fluorophenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide

C28H32FN3O2 — CID 36553152

IUPAC4-(4-fluorophenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
SMILESO=C(CCCOc1ccc(F)cc1)NCc1ccccc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C28H32FN3O2/c29-25-12-14-27(15-13-25)34-20-6-11-28(33)30-21-23-7-4-5-8-24(23)22-31-16-18-32(19-17-31)26-9-2-1-3-10-26/h1-5,7-10,12-15H,6,11,16-22H2,(H,30,33)
InChIKeyAEFLEFFDVCRXNC-UHFFFAOYSA-N
MW461.58 g/mol
LogP4.62
Rot. Bonds10

About 4-(4-fluorophenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide

4-(4-fluorophenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide (PubChem CID 36553152) has the molecular formula C28H32FN3O2 and a molecular weight of 461.58 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
PubChem CID36553152
Molecular FormulaC28H32FN3O2
Molecular Weight461.58 g/mol
Exact Mass461.25
IUPAC Name4-(4-fluorophenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
SMILESO=C(CCCOc1ccc(F)cc1)NCc1ccccc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C28H32FN3O2/c29-25-12-14-27(15-13-25)34-20-6-11-28(33)30-21-23-7-4-5-8-24(23)22-31-16-18-32(19-17-31)26-9-2-1-3-10-26/h1-5,7-10,12-15H,6,11,16-22H2,(H,30,33)
InChIKeyAEFLEFFDVCRXNC-UHFFFAOYSA-N
XLogP4.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 36554280
4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 31644615
4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 39173364
4-(1H-benzimidazol-2-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 36554051
1-[2-(4-fluorophenoxy)ethyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 55743958
N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109020701
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide
CID 37491143
2-(difluoromethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 39172415
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide
CID 39173441
3-(3-chloro-4-methoxyphenyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55661061
(2R)-2-amino-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide;trihydrochloride
CID 119902129

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide?
The IUPAC name of 4-(4-fluorophenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide (CID 36553152) is 4-(4-fluorophenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide?
The canonical SMILES for 4-(4-fluorophenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide is O=C(CCCOc1ccc(F)cc1)NCc1ccccc1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide?
The InChIKey is AEFLEFFDVCRXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O2/c29-25-12-14-27(15-13-25)34-20-6-11-28(33)30-21-23-7-4-5-8-24(23)22-31-16-18-32(19-17-31)26-9-2-1-3-10-26/h1-5,7-10,12-15H,6,11,16-22H2,(H,30,33).
What are the key properties of 4-(4-fluorophenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide?
4-(4-fluorophenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide has a molecular weight of 461.58 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide is sourced from PubChem (CID 36553152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).