cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone

C20H28FN3O — CID 92986014

IUPACcyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C20H28FN3O/c21-17-6-8-18(9-7-17)22-11-13-23(14-12-22)19-5-2-10-24(15-19)20(25)16-3-1-4-16/h6-9,16,19H,1-5,10-15H2/t19-/m0/s1
InChIKeyZNVYVGQHWRENNS-IBGZPJMESA-N
MW345.46 g/mol
LogP2.74
Rot. Bonds3

About cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone

cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 92986014) has the molecular formula C20H28FN3O and a molecular weight of 345.46 g/mol. Its IUPAC name is cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID92986014
Molecular FormulaC20H28FN3O
Molecular Weight345.46 g/mol
Exact Mass345.22
IUPAC Namecyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C20H28FN3O/c21-17-6-8-18(9-7-17)22-11-13-23(14-12-22)19-5-2-10-24(15-19)20(25)16-3-1-4-16/h6-9,16,19H,1-5,10-15H2/t19-/m0/s1
InChIKeyZNVYVGQHWRENNS-IBGZPJMESA-N
XLogP2.74
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 45186042
3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 25288759
[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 95722350
[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2,4,5-trifluorophenyl)methanone
CID 42241698
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 24719086
1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine
CID 45211866
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 24790572
[4-(dimethylamino)phenyl]-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288503
cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 24719059
[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 42532010
(2,4-dimethylphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42513573
cyclopropyl-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 42516872

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 92986014) is cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is ZNVYVGQHWRENNS-IBGZPJMESA-N. The full InChI is InChI=1S/C20H28FN3O/c21-17-6-8-18(9-7-17)22-11-13-23(14-12-22)19-5-2-10-24(15-19)20(25)16-3-1-4-16/h6-9,16,19H,1-5,10-15H2/t19-/m0/s1.
What are the key properties of cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 345.46 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 92986014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).