[(1S,2R,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone

C17H28N2O2 — CID 170440022

IUPAC[(1S,2R,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone
SMILESN[C@@H]1[C@@H]2CC[C@@H](C2)[C@]12CCCC(C(=O)N1CCOCC1)C2
InChIInChI=1S/C17H28N2O2/c18-15-12-3-4-14(10-12)17(15)5-1-2-13(11-17)16(20)19-6-8-21-9-7-19/h12-15H,1-11,18H2/t12-,13?,14+,15-,17-/m1/s1
InChIKeyGQFQHYXGEAFHQX-YYVZMHJZSA-N
MW292.42 g/mol
LogP1.78
Rot. Bonds1

About [(1S,2R,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone

[(1S,2R,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone (PubChem CID 170440022) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is [(1S,2R,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(1S,2R,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone
PubChem CID170440022
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name[(1S,2R,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone
SMILESN[C@@H]1[C@@H]2CC[C@@H](C2)[C@]12CCCC(C(=O)N1CCOCC1)C2
InChIInChI=1S/C17H28N2O2/c18-15-12-3-4-14(10-12)17(15)5-1-2-13(11-17)16(20)19-6-8-21-9-7-19/h12-15H,1-11,18H2/t12-,13?,14+,15-,17-/m1/s1
InChIKeyGQFQHYXGEAFHQX-YYVZMHJZSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S,2R,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[(1'S,2R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone
CID 167144777
ethyl (1'S,2S,3R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxylate
CID 167144778
[(1S,3S,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone;[(1S,3Z,4R)-3-hydroxyiminospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-yl]-morpholin-4-ylmethanone;morpholine;(1R,4S)-1'-(morpholine-4-carbonyl)spiro[bicyclo[2.2.1]heptane-3,5'-cyclohexene]-2-one;(1S,4R)-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxylic acid;hydrochloride
CID 172929308
(3-aminocyclohexyl)-morpholin-4-ylmethanone
CID 62775770
(9-amino-3-bicyclo[3.3.1]nonanyl)-morpholin-4-ylmethanone;hydrochloride
CID 120983451
[(1S,3R,7'R)-7'-aminospiro[cyclohexane-3,6'-tricyclo[3.2.0.02,7]heptane]-1-yl]-morpholin-4-ylmethanone
CID 167144815
3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63789770
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55467380
(1R,2R,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 170439838
(2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 170439916
(3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 119727809
(1S,2R,3S,3'R,4R)-3'-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 164833635

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(1S,2R,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone (CID 170440022) is [(1S,2R,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(1S,2R,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(1S,2R,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone is N[C@@H]1[C@@H]2CC[C@@H](C2)[C@]12CCCC(C(=O)N1CCOCC1)C2.
What is the InChIKey of [(1S,2R,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone?
The InChIKey is GQFQHYXGEAFHQX-YYVZMHJZSA-N. The full InChI is InChI=1S/C17H28N2O2/c18-15-12-3-4-14(10-12)17(15)5-1-2-13(11-17)16(20)19-6-8-21-9-7-19/h12-15H,1-11,18H2/t12-,13?,14+,15-,17-/m1/s1.
What are the key properties of [(1S,2R,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone?
[(1S,2R,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone has a molecular weight of 292.42 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 170440022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).