[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone

C18H29N5O2 — CID 100658000

IUPAC[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
SMILESCN1CCC[C@H](C(=O)N2CCC[C@H](Oc3nccnc3N(C)C)C2)C1
InChIInChI=1S/C18H29N5O2/c1-21(2)16-17(20-9-8-19-16)25-15-7-5-11-23(13-15)18(24)14-6-4-10-22(3)12-14/h8-9,14-15H,4-7,10-13H2,1-3H3/t14-,15-/m0/s1
InChIKeyUCUPGOPPOMLAGU-GJZGRUSLSA-N
MW347.46 g/mol
LogP1.25
Rot. Bonds4

About [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone

[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone (PubChem CID 100658000) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
PubChem CID100658000
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
SMILESCN1CCC[C@H](C(=O)N2CCC[C@H](Oc3nccnc3N(C)C)C2)C1
InChIInChI=1S/C18H29N5O2/c1-21(2)16-17(20-9-8-19-16)25-15-7-5-11-23(13-15)18(24)14-6-4-10-22(3)12-14/h8-9,14-15H,4-7,10-13H2,1-3H3/t14-,15-/m0/s1
InChIKeyUCUPGOPPOMLAGU-GJZGRUSLSA-N
XLogP1.25
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone with MolForge

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Related Compounds

(4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 100659423
[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone
CID 91628252
N-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide
CID 117054833
N,N-dimethyl-3-(1-methylpyrrolidin-3-yl)oxypyrazin-2-amine
CID 110875627
[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 91628265
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone
CID 100658231
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 100657586
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 100657758
3-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 91628240
cyclobutyl-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
CID 91914220
[(3R)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 100658983
2-[2-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 91628278

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone?
The IUPAC name of [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone (CID 100658000) is [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone.
What is the SMILES notation for [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone?
The canonical SMILES for [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone is CN1CCC[C@H](C(=O)N2CCC[C@H](Oc3nccnc3N(C)C)C2)C1.
What is the InChIKey of [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone?
The InChIKey is UCUPGOPPOMLAGU-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-21(2)16-17(20-9-8-19-16)25-15-7-5-11-23(13-15)18(24)14-6-4-10-22(3)12-14/h8-9,14-15H,4-7,10-13H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone?
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone has a molecular weight of 347.46 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone is sourced from PubChem (CID 100658000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).