1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea

C18H33N3O3 — CID 95598578

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
SMILESCC(C)N1CCC[C@H](CNC(=O)NC2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C18H33N3O3/c1-14(2)21-9-3-4-15(13-21)12-19-17(22)20-16-5-7-18(8-6-16)23-10-11-24-18/h14-16H,3-13H2,1-2H3,(H2,19,20,22)/t15-/m1/s1
InChIKeyUIAVBJGPEZFIEY-OAHLLOKOSA-N
MW339.48 g/mol
LogP2.09
Rot. Bonds4

About 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea

1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea (PubChem CID 95598578) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
PubChem CID95598578
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
SMILESCC(C)N1CCC[C@H](CNC(=O)NC2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C18H33N3O3/c1-14(2)21-9-3-4-15(13-21)12-19-17(22)20-16-5-7-18(8-6-16)23-10-11-24-18/h14-16H,3-13H2,1-2H3,(H2,19,20,22)/t15-/m1/s1
InChIKeyUIAVBJGPEZFIEY-OAHLLOKOSA-N
XLogP2.09
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea with MolForge

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Related Compounds

1-[2-(hydroxymethyl)cyclohexyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
CID 111630932
1-hydroxy-N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 110912958
4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide
CID 120940265
1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 95200748
N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide
CID 95598555
1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea
CID 112994194
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 119866720
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866719
1-[[(2R)-oxolan-2-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
CID 124853235
N-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide
CID 95598613
(3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide
CID 99970481
1-[[(3R)-1-acetylpiperidin-3-yl]methyl]-3-[4-(hydroxymethyl)cyclohexyl]urea
CID 164639080

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea (CID 95598578) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea is CC(C)N1CCC[C@H](CNC(=O)NC2CCC3(CC2)OCCO3)C1.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea?
The InChIKey is UIAVBJGPEZFIEY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-14(2)21-9-3-4-15(13-21)12-19-17(22)20-16-5-7-18(8-6-16)23-10-11-24-18/h14-16H,3-13H2,1-2H3,(H2,19,20,22)/t15-/m1/s1.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea?
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea has a molecular weight of 339.48 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea is sourced from PubChem (CID 95598578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).