1-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone

C17H29N3O2 — CID 122569051

IUPAC1-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCC(C)N1CCOC(CC(=O)N2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)C1
InChIInChI=1S/C17H29N3O2/c1-11(2)19-5-6-22-12(10-19)7-17(21)20-15-3-4-16(20)14-9-18-8-13(14)15/h11-16,18H,3-10H2,1-2H3/t12?,13-,14+,15-,16+
InChIKeyLKASEEQYJVMBNP-LHIUVBILSA-N
MW307.44 g/mol
LogP0.69
Rot. Bonds3

About 1-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone

1-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone (PubChem CID 122569051) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name1-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone
PubChem CID122569051
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCC(C)N1CCOC(CC(=O)N2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)C1
InChIInChI=1S/C17H29N3O2/c1-11(2)19-5-6-22-12(10-19)7-17(21)20-15-3-4-16(20)14-9-18-8-13(14)15/h11-16,18H,3-10H2,1-2H3/t12?,13-,14+,15-,16+
InChIKeyLKASEEQYJVMBNP-LHIUVBILSA-N
XLogP0.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone with MolForge

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Related Compounds

2-[(2,6-dimethylpiperazin-1-yl)methyl]-4-propan-2-ylmorpholine
CID 64532749
1-piperazin-1-yl-3-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]propan-1-one;trihydrochloride
CID 120983013
2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 118781326
1-[4-(2-methylphenoxy)piperidin-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 70772622
2-[(4-propan-2-ylmorpholin-2-yl)methylamino]propanoic acid
CID 64534343
1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone
CID 64532918
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64532739
4-propan-2-yl-2-propylmorpholine
CID 118118152
2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64532686
4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid
CID 64534544
tert-butyl N-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]carbamate
CID 163975726
(2S)-4-propan-2-yl-2-(propan-2-yloxymethyl)morpholine
CID 174286235

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone?
The IUPAC name of 1-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone (CID 122569051) is 1-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone.
What is the SMILES notation for 1-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone?
The canonical SMILES for 1-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone is CC(C)N1CCOC(CC(=O)N2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)C1.
What is the InChIKey of 1-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone?
The InChIKey is LKASEEQYJVMBNP-LHIUVBILSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-11(2)19-5-6-22-12(10-19)7-17(21)20-15-3-4-16(20)14-9-18-8-13(14)15/h11-16,18H,3-10H2,1-2H3/t12?,13-,14+,15-,16+.
What are the key properties of 1-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone?
1-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone has a molecular weight of 307.44 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone is sourced from PubChem (CID 122569051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).