[4-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-phenylmethanone

C25H32FN3O2 — CID 59250200

IUPAC[4-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2F)CC1
InChIInChI=1S/C25H32FN3O2/c26-23-20-22(31-19-7-14-27-12-5-2-6-13-27)10-11-24(23)28-15-17-29(18-16-28)25(30)21-8-3-1-4-9-21/h1,3-4,8-11,20H,2,5-7,12-19H2
InChIKeyGVVUTXKGVOQNBI-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.04
Rot. Bonds7

About [4-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-phenylmethanone

[4-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-phenylmethanone (PubChem CID 59250200) has the molecular formula C25H32FN3O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is [4-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-phenylmethanone
PubChem CID59250200
Molecular FormulaC25H32FN3O2
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC Name[4-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2F)CC1
InChIInChI=1S/C25H32FN3O2/c26-23-20-22(31-19-7-14-27-12-5-2-6-13-27)10-11-24(23)28-15-17-29(18-16-28)25(30)21-8-3-1-4-9-21/h1,3-4,8-11,20H,2,5-7,12-19H2
InChIKeyGVVUTXKGVOQNBI-UHFFFAOYSA-N
XLogP4.04
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-5-(3-piperidin-1-ylpropoxy)benzonitrile
CID 59250207
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10342375
4-[4-[4-(3-piperidin-1-ylpropoxy)-2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile
CID 59250212
[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 172785381
phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
CID 45272100
(2,5-difluorophenyl)-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]methanone
CID 59250125
(4-fluoro-1,3-dihydroisoindol-2-yl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10091307
[4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone
CID 10005692
2-(4-benzoylpiperazin-1-yl)-1-[2-fluoro-4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]ethanone
CID 66847388
1-[4-[3-(2-aminopyrrolidin-1-yl)propoxy]-2-fluorophenyl]-2-(4-benzoylpiperazin-1-yl)ethanone
CID 123200666
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
[3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-phenylmethanone
CID 1152760

Frequently Asked Questions

What is the IUPAC name of [4-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-phenylmethanone (CID 59250200) is [4-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2F)CC1.
What is the InChIKey of [4-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is GVVUTXKGVOQNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2/c26-23-20-22(31-19-7-14-27-12-5-2-6-13-27)10-11-24(23)28-15-17-29(18-16-28)25(30)21-8-3-1-4-9-21/h1,3-4,8-11,20H,2,5-7,12-19H2.
What are the key properties of [4-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-phenylmethanone?
[4-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 425.55 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 59250200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).