3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea

C15H24N4O3 — CID 51083735

IUPAC3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
SMILESCC(=O)N1CCC(NC(=O)N(C)Cc2c(C)noc2C)CC1
InChIInChI=1S/C15H24N4O3/c1-10-14(11(2)22-17-10)9-18(4)15(21)16-13-5-7-19(8-6-13)12(3)20/h13H,5-9H2,1-4H3,(H,16,21)
InChIKeyACHXNYBXNKBQPN-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.44
Rot. Bonds3

About 3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea

3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea (PubChem CID 51083735) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
PubChem CID51083735
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
SMILESCC(=O)N1CCC(NC(=O)N(C)Cc2c(C)noc2C)CC1
InChIInChI=1S/C15H24N4O3/c1-10-14(11(2)22-17-10)9-18(4)15(21)16-13-5-7-19(8-6-13)12(3)20/h13H,5-9H2,1-4H3,(H,16,21)
InChIKeyACHXNYBXNKBQPN-UHFFFAOYSA-N
XLogP1.44
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea (CID 51083735) is 3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea is CC(=O)N1CCC(NC(=O)N(C)Cc2c(C)noc2C)CC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
The InChIKey is ACHXNYBXNKBQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10-14(11(2)22-17-10)9-18(4)15(21)16-13-5-7-19(8-6-13)12(3)20/h13H,5-9H2,1-4H3,(H,16,21).
What are the key properties of 3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea has a molecular weight of 308.38 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea is sourced from PubChem (CID 51083735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).