1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one

C25H30FN3O3 — CID 55966112

IUPAC1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C25H30FN3O3/c26-21-8-10-22(11-9-21)27-14-16-28(17-15-27)25(31)20-5-4-13-29(19-20)24(30)12-18-32-23-6-2-1-3-7-23/h1-3,6-11,20H,4-5,12-19H2
InChIKeyDDDOICFVLRHTSH-UHFFFAOYSA-N
MW439.53 g/mol
LogP3.18
Rot. Bonds6

About 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one

1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one (PubChem CID 55966112) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
PubChem CID55966112
Molecular FormulaC25H30FN3O3
Molecular Weight439.53 g/mol
Exact Mass439.23
IUPAC Name1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C25H30FN3O3/c26-21-8-10-22(11-9-21)27-14-16-28(17-15-27)25(31)20-5-4-13-29(19-20)24(30)12-18-32-23-6-2-1-3-7-23/h1-3,6-11,20H,4-5,12-19H2
InChIKeyDDDOICFVLRHTSH-UHFFFAOYSA-N
XLogP3.18
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one with MolForge

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Related Compounds

1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119417899
1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 119376198
1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 139006517
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one
CID 134005471
(2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371132
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757
1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55966129
2-[4-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55967026
1-[3-[4-[(4-ethoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55967043
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 119469100
3-[(3S)-1-[3-(4-fluorophenoxy)propanoyl]piperidin-3-yl]propanoic acid
CID 129415349

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one (CID 55966112) is 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one is O=C(CCOc1ccccc1)N1CCCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is DDDOICFVLRHTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3/c26-21-8-10-22(11-9-21)27-14-16-28(17-15-27)25(31)20-5-4-13-29(19-20)24(30)12-18-32-23-6-2-1-3-7-23/h1-3,6-11,20H,4-5,12-19H2.
What are the key properties of 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one?
1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 439.53 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 55966112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).