3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

C15H24N4O2 — CID 51084123

IUPAC3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)NC2CCN(C3CC3)CC2)no1
InChIInChI=1S/C15H24N4O2/c1-11-9-13(17-21-11)10-18(2)15(20)16-12-5-7-19(8-6-12)14-3-4-14/h9,12,14H,3-8,10H2,1-2H3,(H,16,20)
InChIKeyGYQFSXXRKODOEP-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.75
Rot. Bonds4

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

3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 51084123) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID51084123
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)NC2CCN(C3CC3)CC2)no1
InChIInChI=1S/C15H24N4O2/c1-11-9-13(17-21-11)10-18(2)15(20)16-12-5-7-19(8-6-12)14-3-4-14/h9,12,14H,3-8,10H2,1-2H3,(H,16,20)
InChIKeyGYQFSXXRKODOEP-UHFFFAOYSA-N
XLogP1.75
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 51084123) is 3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is Cc1cc(CN(C)C(=O)NC2CCN(C3CC3)CC2)no1.
What is the InChIKey of 3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is GYQFSXXRKODOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-9-13(17-21-11)10-18(2)15(20)16-12-5-7-19(8-6-12)14-3-4-14/h9,12,14H,3-8,10H2,1-2H3,(H,16,20).
What are the key properties of 3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 292.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 51084123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).