[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-(4-pyrazin-2-yloxypiperidin-1-yl)methanone

C16H24N4O3 — CID 128987459

IUPAC[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
SMILESCO[C@H]1C[C@@H](C(=O)N2CCC(Oc3cnccn3)CC2)N(C)C1
InChIInChI=1S/C16H24N4O3/c1-19-11-13(22-2)9-14(19)16(21)20-7-3-12(4-8-20)23-15-10-17-5-6-18-15/h5-6,10,12-14H,3-4,7-9,11H2,1-2H3/t13-,14-/m0/s1
InChIKeyDCDYUWUDDZOZGI-KBPBESRZSA-N
MW320.39 g/mol
LogP0.57
Rot. Bonds4

About [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-(4-pyrazin-2-yloxypiperidin-1-yl)methanone

[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-(4-pyrazin-2-yloxypiperidin-1-yl)methanone (PubChem CID 128987459) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-(4-pyrazin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
PubChem CID128987459
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
SMILESCO[C@H]1C[C@@H](C(=O)N2CCC(Oc3cnccn3)CC2)N(C)C1
InChIInChI=1S/C16H24N4O3/c1-19-11-13(22-2)9-14(19)16(21)20-7-3-12(4-8-20)23-15-10-17-5-6-18-15/h5-6,10,12-14H,3-4,7-9,11H2,1-2H3/t13-,14-/m0/s1
InChIKeyDCDYUWUDDZOZGI-KBPBESRZSA-N
XLogP0.57
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-(4-pyrazin-2-yloxypiperidin-1-yl)methanone with MolForge

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Related Compounds

3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
CID 90558966
3-methyl-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]but-2-en-1-one
CID 100753672
(4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90558989
(4-pyrazin-2-yloxypiperidin-1-yl)-pyridin-2-ylmethanone
CID 71799257
3-chloro-1-(4-pyrazin-2-yloxypiperidin-1-yl)propan-1-one
CID 90558978
N-(2-methoxyphenyl)-4-pyrazin-2-yloxypiperidine-1-carboxamide
CID 90559095
[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
CID 128985019
4-chloro-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
CID 90558979
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-(4-pyrazin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-(4-pyrazin-2-yloxypiperidin-1-yl)methanone (CID 128987459) is [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-(4-pyrazin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-(4-pyrazin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-(4-pyrazin-2-yloxypiperidin-1-yl)methanone is CO[C@H]1C[C@@H](C(=O)N2CCC(Oc3cnccn3)CC2)N(C)C1.
What is the InChIKey of [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-(4-pyrazin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is DCDYUWUDDZOZGI-KBPBESRZSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-19-11-13(22-2)9-14(19)16(21)20-7-3-12(4-8-20)23-15-10-17-5-6-18-15/h5-6,10,12-14H,3-4,7-9,11H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-(4-pyrazin-2-yloxypiperidin-1-yl)methanone?
[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-(4-pyrazin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 320.39 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-(4-pyrazin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 128987459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).