[6-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]pyrazin-2-yl]-piperidin-1-ylmethanone

C18H23N7O2 — CID 118774271

IUPAC[6-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cncc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)n1)N1CCCCC1
InChIInChI=1S/C18H23N7O2/c26-18(23-5-2-1-3-6-23)14-9-19-10-17(21-14)24-7-4-15-16(11-24)27-12-13-8-20-22-25(13)15/h8-10,15-16H,1-7,11-12H2/t15-,16-/m0/s1
InChIKeyBLGKBLWGWMLHMF-HOTGVXAUSA-N
MW369.43 g/mol
LogP1.04
Rot. Bonds2

About [6-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]pyrazin-2-yl]-piperidin-1-ylmethanone

[6-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]pyrazin-2-yl]-piperidin-1-ylmethanone (PubChem CID 118774271) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is [6-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]pyrazin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]pyrazin-2-yl]-piperidin-1-ylmethanone
PubChem CID118774271
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name[6-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cncc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)n1)N1CCCCC1
InChIInChI=1S/C18H23N7O2/c26-18(23-5-2-1-3-6-23)14-9-19-10-17(21-14)24-7-4-15-16(11-24)27-12-13-8-20-22-25(13)15/h8-10,15-16H,1-7,11-12H2/t15-,16-/m0/s1
InChIKeyBLGKBLWGWMLHMF-HOTGVXAUSA-N
XLogP1.04
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [6-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]pyrazin-2-yl]-piperidin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

piperidin-1-yl-(6-piperidin-1-ylpyrazin-2-yl)methanone
CID 165345728
(1S,9S)-N-cyclohexyl-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-11-carboxamide
CID 118794652
(1S,9S)-11-(2-methyl-6-propylpyrimidin-4-yl)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 118786507
pyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone
CID 56864446
(2-methylsulfanylpyrimidin-5-yl)-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]methanone
CID 118771922
[6-(2-cyclopropylmorpholin-4-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 131932483
[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 118789702
4-[(1S,9S)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]benzonitrile
CID 118771118
[6-[3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 156606651
N,N-dimethyl-4-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]piperidine-1-carboxamide
CID 118784549
(1S,9S)-11-(3-phenyl-1,2,4-oxadiazol-5-yl)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 118783213
6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(1S,9S)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]methanone
CID 118772817

Frequently Asked Questions

What is the IUPAC name of [6-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]pyrazin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]pyrazin-2-yl]-piperidin-1-ylmethanone (CID 118774271) is [6-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]pyrazin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]pyrazin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]pyrazin-2-yl]-piperidin-1-ylmethanone is O=C(c1cncc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)n1)N1CCCCC1.
What is the InChIKey of [6-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]pyrazin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is BLGKBLWGWMLHMF-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H23N7O2/c26-18(23-5-2-1-3-6-23)14-9-19-10-17(21-14)24-7-4-15-16(11-24)27-12-13-8-20-22-25(13)15/h8-10,15-16H,1-7,11-12H2/t15-,16-/m0/s1.
What are the key properties of [6-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]pyrazin-2-yl]-piperidin-1-ylmethanone?
[6-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]pyrazin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 369.43 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]pyrazin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 118774271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).