(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one

C18H27N3O2 — CID 141171775

IUPAC(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one
SMILESCOC[C@H](C)N1C[C@@H](c2ccccc2)N(C2CCNCC2)C1=O
InChIInChI=1S/C18H27N3O2/c1-14(13-23-2)20-12-17(15-6-4-3-5-7-15)21(18(20)22)16-8-10-19-11-9-16/h3-7,14,16-17,19H,8-13H2,1-2H3/t14-,17-/m0/s1
InChIKeyALNKHMCYDYMCIJ-YOEHRIQHSA-N
MW317.43 g/mol
LogP2.25
Rot. Bonds5

About (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one

(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one (PubChem CID 141171775) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one
PubChem CID141171775
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one
SMILESCOC[C@H](C)N1C[C@@H](c2ccccc2)N(C2CCNCC2)C1=O
InChIInChI=1S/C18H27N3O2/c1-14(13-23-2)20-12-17(15-6-4-3-5-7-15)21(18(20)22)16-8-10-19-11-9-16/h3-7,14,16-17,19H,8-13H2,1-2H3/t14-,17-/m0/s1
InChIKeyALNKHMCYDYMCIJ-YOEHRIQHSA-N
XLogP2.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one?
The IUPAC name of (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one (CID 141171775) is (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one.
What is the SMILES notation for (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one?
The canonical SMILES for (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one is COC[C@H](C)N1C[C@@H](c2ccccc2)N(C2CCNCC2)C1=O.
What is the InChIKey of (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one?
The InChIKey is ALNKHMCYDYMCIJ-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(13-23-2)20-12-17(15-6-4-3-5-7-15)21(18(20)22)16-8-10-19-11-9-16/h3-7,14,16-17,19H,8-13H2,1-2H3/t14-,17-/m0/s1.
What are the key properties of (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one?
(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one has a molecular weight of 317.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one is sourced from PubChem (CID 141171775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).