2-cyclopentyl-1-[4-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethanone

C29H38FN3O2 — CID 25292145

IUPAC2-cyclopentyl-1-[4-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(Oc2ccc(CN3CCN(c4ccccc4F)CC3)cc2)CC1
InChIInChI=1S/C29H38FN3O2/c30-27-7-3-4-8-28(27)32-19-17-31(18-20-32)22-24-9-11-25(12-10-24)35-26-13-15-33(16-14-26)29(34)21-23-5-1-2-6-23/h3-4,7-12,23,26H,1-2,5-6,13-22H2
InChIKeyYMQJJBKZUNPNCN-UHFFFAOYSA-N
MW479.64 g/mol
LogP5.10
Rot. Bonds7

About 2-cyclopentyl-1-[4-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethanone

2-cyclopentyl-1-[4-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethanone (PubChem CID 25292145) has the molecular formula C29H38FN3O2 and a molecular weight of 479.64 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethanone
PubChem CID25292145
Molecular FormulaC29H38FN3O2
Molecular Weight479.64 g/mol
Exact Mass479.29
IUPAC Name2-cyclopentyl-1-[4-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(Oc2ccc(CN3CCN(c4ccccc4F)CC3)cc2)CC1
InChIInChI=1S/C29H38FN3O2/c30-27-7-3-4-8-28(27)32-19-17-31(18-20-32)22-24-9-11-25(12-10-24)35-26-13-15-33(16-14-26)29(34)21-23-5-1-2-6-23/h3-4,7-12,23,26H,1-2,5-6,13-22H2
InChIKeyYMQJJBKZUNPNCN-UHFFFAOYSA-N
XLogP5.10
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.64
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-1-[4-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone
CID 112764711
2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone
CID 134230783
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 37113340
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 171151326
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;oxalic acid
CID 171151329
2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826997
5-[2-[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 45228691
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione
CID 110703277
N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113166319
2-cyclohexyl-1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 139022938
N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride
CID 174377053

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethanone (CID 25292145) is 2-cyclopentyl-1-[4-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC(Oc2ccc(CN3CCN(c4ccccc4F)CC3)cc2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethanone?
The InChIKey is YMQJJBKZUNPNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38FN3O2/c30-27-7-3-4-8-28(27)32-19-17-31(18-20-32)22-24-9-11-25(12-10-24)35-26-13-15-33(16-14-26)29(34)21-23-5-1-2-6-23/h3-4,7-12,23,26H,1-2,5-6,13-22H2.
What are the key properties of 2-cyclopentyl-1-[4-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethanone?
2-cyclopentyl-1-[4-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethanone has a molecular weight of 479.64 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 25292145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).