1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea

C17H29N5O3 — CID 166601372

IUPAC1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea
SMILESCN(C)C(=O)N(C)C1CCN(Cc2noc(C3CCOCC3)n2)CC1
InChIInChI=1S/C17H29N5O3/c1-20(2)17(23)21(3)14-4-8-22(9-5-14)12-15-18-16(25-19-15)13-6-10-24-11-7-13/h13-14H,4-12H2,1-3H3
InChIKeyINXBZAWIURTIMH-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.54
Rot. Bonds4

About 1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea

1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea (PubChem CID 166601372) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea
PubChem CID166601372
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC Name1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea
SMILESCN(C)C(=O)N(C)C1CCN(Cc2noc(C3CCOCC3)n2)CC1
InChIInChI=1S/C17H29N5O3/c1-20(2)17(23)21(3)14-4-8-22(9-5-14)12-15-18-16(25-19-15)13-6-10-24-11-7-13/h13-14H,4-12H2,1-3H3
InChIKeyINXBZAWIURTIMH-UHFFFAOYSA-N
XLogP1.54
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide
CID 71872446
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide
CID 71872459
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methoxypropyl)-N-methylpiperidin-3-amine
CID 71878604
1-Methyl-3-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]imidazolidin-2-one
CID 72044049
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxan-4-ylmethyl)pyrrolidin-3-amine
CID 72122934
1-[3-(5-Ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 72133266
cyclopropyl[4-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)piperidino]methanone
CID 91918760
4-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]-1-(tetrahydro-2H-pyran-4-yl)piperidine
CID 72872995
N,N-dimethyl-4-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 72891506
tetrahydro-2H-pyran-4-yl[4-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)piperidino]methanone
CID 91908030
N-[(3S,4S)-1-(cyclopropylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]oxane-4-carboxamide
CID 91915766
"N-cyclohexyl-4-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)tetrahydro-1(2H)-pyridinecarboxamide"
CID 91918730

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea?
The IUPAC name of 1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea (CID 166601372) is 1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea.
What is the SMILES notation for 1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea?
The canonical SMILES for 1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea is CN(C)C(=O)N(C)C1CCN(Cc2noc(C3CCOCC3)n2)CC1.
What is the InChIKey of 1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea?
The InChIKey is INXBZAWIURTIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-20(2)17(23)21(3)14-4-8-22(9-5-14)12-15-18-16(25-19-15)13-6-10-24-11-7-13/h13-14H,4-12H2,1-3H3.
What are the key properties of 1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea?
1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea has a molecular weight of 351.45 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea is sourced from PubChem (CID 166601372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).