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

C19H26N4O2 — CID 98773676

IUPAC1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C[C@H]2C)no1
InChIInChI=1S/C19H26N4O2/c1-14-12-23(13-16-7-5-4-6-8-16)10-9-17(14)22(3)19(24)20-18-11-15(2)25-21-18/h4-8,11,14,17H,9-10,12-13H2,1-3H3,(H,20,21,24)/t14-,17+/m1/s1
InChIKeyXZLJAIMJBICCLX-PBHICJAKSA-N
MW342.44 g/mol
LogP3.36
Rot. Bonds4

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

1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 98773676) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID98773676
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C[C@H]2C)no1
InChIInChI=1S/C19H26N4O2/c1-14-12-23(13-16-7-5-4-6-8-16)10-9-17(14)22(3)19(24)20-18-11-15(2)25-21-18/h4-8,11,14,17H,9-10,12-13H2,1-3H3,(H,20,21,24)/t14-,17+/m1/s1
InChIKeyXZLJAIMJBICCLX-PBHICJAKSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-prop-2-ynylurea
CID 71848262
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-prop-2-ynylurea
CID 96542989
1-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(4-nitrophenyl)urea
CID 96533749
N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide
CID 125145982
1-(1-benzyl-3-methylpiperidin-4-yl)-3-[3-chloro-2-(2-methoxyethoxy)phenyl]-1-methylurea
CID 71847774
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
1-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 96533752
N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide
CID 124730164
N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide
CID 100624175
1-[(3S)-1-benzylpiperidin-3-yl]-1-methyl-3-(1,2-oxazol-3-yl)urea
CID 124616847
2-[4-(1-benzylpiperidine-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60579845
1-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-1-methyl-3-(2-propan-2-ylphenyl)urea
CID 53235421

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 98773676) is 1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C[C@H]2C)no1.
What is the InChIKey of 1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is XZLJAIMJBICCLX-PBHICJAKSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-12-23(13-16-7-5-4-6-8-16)10-9-17(14)22(3)19(24)20-18-11-15(2)25-21-18/h4-8,11,14,17H,9-10,12-13H2,1-3H3,(H,20,21,24)/t14-,17+/m1/s1.
What are the key properties of 1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 342.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 98773676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).