[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone

C24H37FN4O — CID 45186042

IUPAC[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCC(C)N1CCC(C(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)CC1
InChIInChI=1S/C24H37FN4O/c1-19(2)26-12-9-20(10-13-26)24(30)29-11-3-4-23(18-29)28-16-14-27(15-17-28)22-7-5-21(25)6-8-22/h5-8,19-20,23H,3-4,9-18H2,1-2H3
InChIKeyQPDVYZXIMDGWDQ-UHFFFAOYSA-N
MW416.59 g/mol
LogP3.06
Rot. Bonds4

About [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone

[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone (PubChem CID 45186042) has the molecular formula C24H37FN4O and a molecular weight of 416.59 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
PubChem CID45186042
Molecular FormulaC24H37FN4O
Molecular Weight416.59 g/mol
Exact Mass416.30
IUPAC Name[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCC(C)N1CCC(C(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)CC1
InChIInChI=1S/C24H37FN4O/c1-19(2)26-12-9-20(10-13-26)24(30)29-11-3-4-23(18-29)28-16-14-27(15-17-28)22-7-5-21(25)6-8-22/h5-8,19-20,23H,3-4,9-18H2,1-2H3
InChIKeyQPDVYZXIMDGWDQ-UHFFFAOYSA-N
XLogP3.06
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 92986014
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 72839491
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 24719086
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 42119873
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
[4-(dimethylamino)phenyl]-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288503
(2,4-dimethylphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42513573
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 24790572
(1-propan-2-ylpiperidin-4-yl)-[4-(1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 177124210
1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine
CID 45211866

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone (CID 45186042) is [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone is CC(C)N1CCC(C(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)CC1.
What is the InChIKey of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The InChIKey is QPDVYZXIMDGWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37FN4O/c1-19(2)26-12-9-20(10-13-26)24(30)29-11-3-4-23(18-29)28-16-14-27(15-17-28)22-7-5-21(25)6-8-22/h5-8,19-20,23H,3-4,9-18H2,1-2H3.
What are the key properties of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone has a molecular weight of 416.59 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 45186042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).