1-methyl-3-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea

C19H33N5O3 — CID 126434571

IUPAC1-methyl-3-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCC(C)C(=O)N1CCC[C@@H](CNC(=O)N(C)CCc2noc(C(C)C)n2)C1
InChIInChI=1S/C19H33N5O3/c1-13(2)17-21-16(22-27-17)8-10-23(5)19(26)20-11-15-7-6-9-24(12-15)18(25)14(3)4/h13-15H,6-12H2,1-5H3,(H,20,26)/t15-/m0/s1
InChIKeyKKAJZMNOVGRXPE-HNNXBMFYSA-N
MW379.51 g/mol
LogP2.27
Rot. Bonds7

About 1-methyl-3-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea

1-methyl-3-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea (PubChem CID 126434571) has the molecular formula C19H33N5O3 and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-methyl-3-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea
PubChem CID126434571
Molecular FormulaC19H33N5O3
Molecular Weight379.51 g/mol
Exact Mass379.26
IUPAC Name1-methyl-3-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCC(C)C(=O)N1CCC[C@@H](CNC(=O)N(C)CCc2noc(C(C)C)n2)C1
InChIInChI=1S/C19H33N5O3/c1-13(2)17-21-16(22-27-17)8-10-23(5)19(26)20-11-15-7-6-9-24(12-15)18(25)14(3)4/h13-15H,6-12H2,1-5H3,(H,20,26)/t15-/m0/s1
InChIKeyKKAJZMNOVGRXPE-HNNXBMFYSA-N
XLogP2.27
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The IUPAC name of 1-methyl-3-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea (CID 126434571) is 1-methyl-3-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The canonical SMILES for 1-methyl-3-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea is CC(C)C(=O)N1CCC[C@@H](CNC(=O)N(C)CCc2noc(C(C)C)n2)C1.
What is the InChIKey of 1-methyl-3-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The InChIKey is KKAJZMNOVGRXPE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H33N5O3/c1-13(2)17-21-16(22-27-17)8-10-23(5)19(26)20-11-15-7-6-9-24(12-15)18(25)14(3)4/h13-15H,6-12H2,1-5H3,(H,20,26)/t15-/m0/s1.
What are the key properties of 1-methyl-3-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea?
1-methyl-3-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea has a molecular weight of 379.51 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea is sourced from PubChem (CID 126434571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).