(1R,5S)-4'-(3-imidazol-1-ylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]

C16H26N4O — CID 171909678

IUPAC(1R,5S)-4'-(3-imidazol-1-ylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]
SMILESc1cn(CCCN2CCOC3(C[C@H]4CC[C@@H](C3)N4)C2)cn1
InChIInChI=1S/C16H26N4O/c1(6-20-7-4-17-13-20)5-19-8-9-21-16(12-19)10-14-2-3-15(11-16)18-14/h4,7,13-15,18H,1-3,5-6,8-12H2/t14-,15+,16?
InChIKeyBPUBCAMXHJDGJU-XYPWUTKMSA-N
MW290.41 g/mol
LogP1.26
Rot. Bonds4

About (1R,5S)-4'-(3-imidazol-1-ylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]

(1R,5S)-4'-(3-imidazol-1-ylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine] (PubChem CID 171909678) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (1R,5S)-4'-(3-imidazol-1-ylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine].

Molecular Properties

Compound Name(1R,5S)-4'-(3-imidazol-1-ylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]
PubChem CID171909678
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(1R,5S)-4'-(3-imidazol-1-ylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]
SMILESc1cn(CCCN2CCOC3(C[C@H]4CC[C@@H](C3)N4)C2)cn1
InChIInChI=1S/C16H26N4O/c1(6-20-7-4-17-13-20)5-19-8-9-21-16(12-19)10-14-2-3-15(11-16)18-14/h4,7,13-15,18H,1-3,5-6,8-12H2/t14-,15+,16?
InChIKeyBPUBCAMXHJDGJU-XYPWUTKMSA-N
XLogP1.26
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-4'-(3-imidazol-1-ylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]?
The IUPAC name of (1R,5S)-4'-(3-imidazol-1-ylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine] (CID 171909678) is (1R,5S)-4'-(3-imidazol-1-ylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine].
What is the SMILES notation for (1R,5S)-4'-(3-imidazol-1-ylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]?
The canonical SMILES for (1R,5S)-4'-(3-imidazol-1-ylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine] is c1cn(CCCN2CCOC3(C[C@H]4CC[C@@H](C3)N4)C2)cn1.
What is the InChIKey of (1R,5S)-4'-(3-imidazol-1-ylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]?
The InChIKey is BPUBCAMXHJDGJU-XYPWUTKMSA-N. The full InChI is InChI=1S/C16H26N4O/c1(6-20-7-4-17-13-20)5-19-8-9-21-16(12-19)10-14-2-3-15(11-16)18-14/h4,7,13-15,18H,1-3,5-6,8-12H2/t14-,15+,16?.
What are the key properties of (1R,5S)-4'-(3-imidazol-1-ylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]?
(1R,5S)-4'-(3-imidazol-1-ylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine] has a molecular weight of 290.41 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-4'-(3-imidazol-1-ylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine] is sourced from PubChem (CID 171909678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).