1-[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one

C17H24FN3O3 — CID 94392487

IUPAC1-[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(C[C@H](O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O3/c18-13-1-3-16(4-2-13)24-12-15(22)11-20-8-5-14(6-9-20)21-10-7-19-17(21)23/h1-4,14-15,22H,5-12H2,(H,19,23)/t15-/m0/s1
InChIKeyMSKCSJBSBJFPEM-HNNXBMFYSA-N
MW337.40 g/mol
LogP1.05
Rot. Bonds6

About 1-[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 94392487) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID94392487
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC Name1-[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(C[C@H](O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O3/c18-13-1-3-16(4-2-13)24-12-15(22)11-20-8-5-14(6-9-20)21-10-7-19-17(21)23/h1-4,14-15,22H,5-12H2,(H,19,23)/t15-/m0/s1
InChIKeyMSKCSJBSBJFPEM-HNNXBMFYSA-N
XLogP1.05
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one
CID 94392496
1-[1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidin-4-yl]imidazolidin-2-one
CID 95329642
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041914
1-(1,4-diazepan-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 19005868
3-[1-[2-hydroxy-3-[4-(piperazin-1-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 172666147
but-2-enedioic acid;1-[1-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperidin-4-yl]-1,3-diazinan-2-one
CID 70628409
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-phenoxypropan-2-ol
CID 138959633
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138959584
1-[1-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one
CID 95582475
(3aR,7aS)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98130405
1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride
CID 21236715
1-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 141041922

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one (CID 94392487) is 1-[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one is O=C1NCCN1C1CCN(C[C@H](O)COc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is MSKCSJBSBJFPEM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c18-13-1-3-16(4-2-13)24-12-15(22)11-20-8-5-14(6-9-20)21-10-7-19-17(21)23/h1-4,14-15,22H,5-12H2,(H,19,23)/t15-/m0/s1.
What are the key properties of 1-[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 337.40 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 94392487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).