[(1S,6S,9R)-9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(5-methylpyrazin-2-yl)methanone

C17H23N3O3 — CID 98811994

IUPAC[(1S,6S,9R)-9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCO[C@H]3CC[C@H]2[C@H]3OCC2CC2)cn1
InChIInChI=1S/C17H23N3O3/c1-11-8-19-13(9-18-11)17(21)20-6-7-22-15-5-4-14(20)16(15)23-10-12-2-3-12/h8-9,12,14-16H,2-7,10H2,1H3/t14-,15-,16+/m0/s1
InChIKeyASPPFOLMXCPYIX-HRCADAONSA-N
MW317.39 g/mol
LogP1.58
Rot. Bonds4

About [(1S,6S,9R)-9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(5-methylpyrazin-2-yl)methanone

[(1S,6S,9R)-9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 98811994) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is [(1S,6S,9R)-9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(1S,6S,9R)-9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID98811994
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name[(1S,6S,9R)-9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCO[C@H]3CC[C@H]2[C@H]3OCC2CC2)cn1
InChIInChI=1S/C17H23N3O3/c1-11-8-19-13(9-18-11)17(21)20-6-7-22-15-5-4-14(20)16(15)23-10-12-2-3-12/h8-9,12,14-16H,2-7,10H2,1H3/t14-,15-,16+/m0/s1
InChIKeyASPPFOLMXCPYIX-HRCADAONSA-N
XLogP1.58
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1S,6S,9R)-9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(5-methylpyrazin-2-yl)methanone with MolForge

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Related Compounds

[9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyrazin-2-ylmethanone
CID 131641347
[(1R,6R,9R)-9-prop-2-enoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyrazin-2-ylmethanone
CID 98811911
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)pyrazine-2-carboxylic acid
CID 120685131
cyclohex-3-en-1-yl-[9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone
CID 131649758
(9-ethoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 131653575
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(5-chloropyrazin-2-yl)methanone
CID 103803711
(5-methyl-1,2-oxazol-3-yl)-[(1S,6S,9R)-9-(pyridin-3-ylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone
CID 98812187
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375243
[(3R)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 97394898
[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 97394897
(9-prop-2-enoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-pyridin-4-ylmethanone
CID 131659015
[(1R,6R,9R)-9-prop-2-enoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyridin-3-ylmethanone
CID 98811903

Frequently Asked Questions

What is the IUPAC name of [(1S,6S,9R)-9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [(1S,6S,9R)-9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(5-methylpyrazin-2-yl)methanone (CID 98811994) is [(1S,6S,9R)-9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [(1S,6S,9R)-9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [(1S,6S,9R)-9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCO[C@H]3CC[C@H]2[C@H]3OCC2CC2)cn1.
What is the InChIKey of [(1S,6S,9R)-9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is ASPPFOLMXCPYIX-HRCADAONSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-8-19-13(9-18-11)17(21)20-6-7-22-15-5-4-14(20)16(15)23-10-12-2-3-12/h8-9,12,14-16H,2-7,10H2,1H3/t14-,15-,16+/m0/s1.
What are the key properties of [(1S,6S,9R)-9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(5-methylpyrazin-2-yl)methanone?
[(1S,6S,9R)-9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 317.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6S,9R)-9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 98811994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).