(4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane

C21H32FNO — CID 158052051

IUPAC(4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane
SMILESC.C[C@H]1CC[C@@H](CCN2CCC(C(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C20H28FNO.CH4/c1-15-2-3-16(14-15)8-11-22-12-9-18(10-13-22)20(23)17-4-6-19(21)7-5-17;/h4-7,15-16,18H,2-3,8-14H2,1H3;1H4/t15-,16-;/m0./s1
InChIKeyFJPGOQLSYFVZMS-MOGJOVFKSA-N
MW333.49 g/mol
LogP5.18
Rot. Bonds5

About (4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane

(4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane (PubChem CID 158052051) has the molecular formula C21H32FNO and a molecular weight of 333.49 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane
PubChem CID158052051
Molecular FormulaC21H32FNO
Molecular Weight333.49 g/mol
Exact Mass333.25
IUPAC Name(4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane
SMILESC.C[C@H]1CC[C@@H](CCN2CCC(C(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C20H28FNO.CH4/c1-15-2-3-16(14-15)8-11-22-12-9-18(10-13-22)20(23)17-4-6-19(21)7-5-17;/h4-7,15-16,18H,2-3,8-14H2,1H3;1H4/t15-,16-;/m0./s1
InChIKeyFJPGOQLSYFVZMS-MOGJOVFKSA-N
XLogP5.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.49
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
2-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 23037304
2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide
CID 66628022
N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide
CID 149104494
(1S,4R)-bicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide
CID 69265460
2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 25184916
1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea
CID 25015921
N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyrrol-1-ylbenzamide
CID 66627561
2-(3-ethyl-3-methylcyclopentyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 143759148
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042
2-[4-[2-[4-(4-fluoro-2-methylbenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 66627629

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane?
The IUPAC name of (4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane (CID 158052051) is (4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane.
What is the SMILES notation for (4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane?
The canonical SMILES for (4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane is C.C[C@H]1CC[C@@H](CCN2CCC(C(=O)c3ccc(F)cc3)CC2)C1.
What is the InChIKey of (4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane?
The InChIKey is FJPGOQLSYFVZMS-MOGJOVFKSA-N. The full InChI is InChI=1S/C20H28FNO.CH4/c1-15-2-3-16(14-15)8-11-22-12-9-18(10-13-22)20(23)17-4-6-19(21)7-5-17;/h4-7,15-16,18H,2-3,8-14H2,1H3;1H4/t15-,16-;/m0./s1.
What are the key properties of (4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane?
(4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane has a molecular weight of 333.49 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane is sourced from PubChem (CID 158052051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).