(4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one

C17H25N5O3 — CID 100659423

IUPAC(4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1C[C@H](C(=O)N2CCC[C@H](Oc3nccnc3N(C)C)C2)CC1=O
InChIInChI=1S/C17H25N5O3/c1-20(2)15-16(19-7-6-18-15)25-13-5-4-8-22(11-13)17(24)12-9-14(23)21(3)10-12/h6-7,12-13H,4-5,8-11H2,1-3H3/t12-,13+/m1/s1
InChIKeyAMCMSYXTPGJGDO-OLZOCXBDSA-N
MW347.42 g/mol
LogP0.39
Rot. Bonds4

About (4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one

(4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 100659423) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is (4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID100659423
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name(4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1C[C@H](C(=O)N2CCC[C@H](Oc3nccnc3N(C)C)C2)CC1=O
InChIInChI=1S/C17H25N5O3/c1-20(2)15-16(19-7-6-18-15)25-13-5-4-8-22(11-13)17(24)12-9-14(23)21(3)10-12/h6-7,12-13H,4-5,8-11H2,1-3H3/t12-,13+/m1/s1
InChIKeyAMCMSYXTPGJGDO-OLZOCXBDSA-N
XLogP0.39
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 91628163
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 100658000
[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone
CID 91628252
4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 122261546
[(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
[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
N-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide
CID 117054833
2-[2-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 91628278
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 100657586
N,N-dimethyl-3-(1-methylpyrrolidin-3-yl)oxypyrazin-2-amine
CID 110875627

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one (CID 100659423) is (4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one is CN1C[C@H](C(=O)N2CCC[C@H](Oc3nccnc3N(C)C)C2)CC1=O.
What is the InChIKey of (4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is AMCMSYXTPGJGDO-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-20(2)15-16(19-7-6-18-15)25-13-5-4-8-22(11-13)17(24)12-9-14(23)21(3)10-12/h6-7,12-13H,4-5,8-11H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of (4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
(4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 347.42 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 100659423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).