2-[(2S)-4-benzylmorpholin-2-yl]-4-piperidin-4-yl-1H-pyrimidin-6-one

C20H26N4O2 — CID 135890480

IUPAC2-[(2S)-4-benzylmorpholin-2-yl]-4-piperidin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCNCC2)nc([C@@H]2CN(Cc3ccccc3)CCO2)[nH]1
InChIInChI=1S/C20H26N4O2/c25-19-12-17(16-6-8-21-9-7-16)22-20(23-19)18-14-24(10-11-26-18)13-15-4-2-1-3-5-15/h1-5,12,16,18,21H,6-11,13-14H2,(H,22,23,25)/t18-/m0/s1
InChIKeyXIKNZFXZUGJBAG-SFHVURJKSA-N
MW354.45 g/mol
LogP1.81
Rot. Bonds4

About 2-[(2S)-4-benzylmorpholin-2-yl]-4-piperidin-4-yl-1H-pyrimidin-6-one

2-[(2S)-4-benzylmorpholin-2-yl]-4-piperidin-4-yl-1H-pyrimidin-6-one (PubChem CID 135890480) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[(2S)-4-benzylmorpholin-2-yl]-4-piperidin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2S)-4-benzylmorpholin-2-yl]-4-piperidin-4-yl-1H-pyrimidin-6-one
PubChem CID135890480
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[(2S)-4-benzylmorpholin-2-yl]-4-piperidin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCNCC2)nc([C@@H]2CN(Cc3ccccc3)CCO2)[nH]1
InChIInChI=1S/C20H26N4O2/c25-19-12-17(16-6-8-21-9-7-16)22-20(23-19)18-14-24(10-11-26-18)13-15-4-2-1-3-5-15/h1-5,12,16,18,21H,6-11,13-14H2,(H,22,23,25)/t18-/m0/s1
InChIKeyXIKNZFXZUGJBAG-SFHVURJKSA-N
XLogP1.81
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-benzylmorpholin-2-yl]-4-piperidin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2S)-4-benzylmorpholin-2-yl]-4-piperidin-4-yl-1H-pyrimidin-6-one (CID 135890480) is 2-[(2S)-4-benzylmorpholin-2-yl]-4-piperidin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2S)-4-benzylmorpholin-2-yl]-4-piperidin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2S)-4-benzylmorpholin-2-yl]-4-piperidin-4-yl-1H-pyrimidin-6-one is O=c1cc(C2CCNCC2)nc([C@@H]2CN(Cc3ccccc3)CCO2)[nH]1.
What is the InChIKey of 2-[(2S)-4-benzylmorpholin-2-yl]-4-piperidin-4-yl-1H-pyrimidin-6-one?
The InChIKey is XIKNZFXZUGJBAG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-19-12-17(16-6-8-21-9-7-16)22-20(23-19)18-14-24(10-11-26-18)13-15-4-2-1-3-5-15/h1-5,12,16,18,21H,6-11,13-14H2,(H,22,23,25)/t18-/m0/s1.
What are the key properties of 2-[(2S)-4-benzylmorpholin-2-yl]-4-piperidin-4-yl-1H-pyrimidin-6-one?
2-[(2S)-4-benzylmorpholin-2-yl]-4-piperidin-4-yl-1H-pyrimidin-6-one has a molecular weight of 354.45 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-benzylmorpholin-2-yl]-4-piperidin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135890480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).