[6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone

C18H29N5O2 — CID 70710281

IUPAC[6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCCC[C@@H]1CN(c2cncc(C(=O)N3CCOCC3)n2)C[C@H]1N(C)C
InChIInChI=1S/C18H29N5O2/c1-4-5-14-12-23(13-16(14)21(2)3)17-11-19-10-15(20-17)18(24)22-6-8-25-9-7-22/h10-11,14,16H,4-9,12-13H2,1-3H3/t14-,16-/m1/s1
InChIKeyIZGCHUKVHZLHIN-GDBMZVCRSA-N
MW347.46 g/mol
LogP1.12
Rot. Bonds5

About [6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone

[6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 70710281) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is [6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
PubChem CID70710281
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name[6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCCC[C@@H]1CN(c2cncc(C(=O)N3CCOCC3)n2)C[C@H]1N(C)C
InChIInChI=1S/C18H29N5O2/c1-4-5-14-12-23(13-16(14)21(2)3)17-11-19-10-15(20-17)18(24)22-6-8-25-9-7-22/h10-11,14,16H,4-9,12-13H2,1-3H3/t14-,16-/m1/s1
InChIKeyIZGCHUKVHZLHIN-GDBMZVCRSA-N
XLogP1.12
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone (CID 70710281) is [6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone is CCC[C@@H]1CN(c2cncc(C(=O)N3CCOCC3)n2)C[C@H]1N(C)C.
What is the InChIKey of [6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is IZGCHUKVHZLHIN-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-4-5-14-12-23(13-16(14)21(2)3)17-11-19-10-15(20-17)18(24)22-6-8-25-9-7-22/h10-11,14,16H,4-9,12-13H2,1-3H3/t14-,16-/m1/s1.
What are the key properties of [6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone?
[6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 347.46 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 70710281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).