1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea

C19H26N4O2 — CID 100851810

IUPAC1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)on1
InChIInChI=1S/C19H26N4O2/c1-14-11-18(25-21-14)20-19(24)22(3)17-9-10-23(15(2)12-17)13-16-7-5-4-6-8-16/h4-8,11,15,17H,9-10,12-13H2,1-3H3,(H,20,24)/t15-,17-/m0/s1
InChIKeySVYUTQAEFAAMOK-RDJZCZTQSA-N
MW342.44 g/mol
LogP3.50
Rot. Bonds4

About 1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea

1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea (PubChem CID 100851810) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea
PubChem CID100851810
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)on1
InChIInChI=1S/C19H26N4O2/c1-14-11-18(25-21-14)20-19(24)22(3)17-9-10-23(15(2)12-17)13-16-7-5-4-6-8-16/h4-8,11,15,17H,9-10,12-13H2,1-3H3,(H,20,24)/t15-,17-/m0/s1
InChIKeySVYUTQAEFAAMOK-RDJZCZTQSA-N
XLogP3.50
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea?
The IUPAC name of 1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea (CID 100851810) is 1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea is Cc1cc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)on1.
What is the InChIKey of 1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea?
The InChIKey is SVYUTQAEFAAMOK-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-11-18(25-21-14)20-19(24)22(3)17-9-10-23(15(2)12-17)13-16-7-5-4-6-8-16/h4-8,11,15,17H,9-10,12-13H2,1-3H3,(H,20,24)/t15-,17-/m0/s1.
What are the key properties of 1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea?
1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea has a molecular weight of 342.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea is sourced from PubChem (CID 100851810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).