(2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C17H27N5O — CID 124752724

IUPAC(2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1cnc(C)c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1
InChIInChI=1S/C17H27N5O/c1-13-12-18-14(2)16(19-13)21-10-8-20(9-11-21)15(3)17(23)22-6-4-5-7-22/h12,15H,4-11H2,1-3H3/t15-/m1/s1
InChIKeyKHMFCFZIXDAGFB-OAHLLOKOSA-N
MW317.44 g/mol
LogP1.23
Rot. Bonds3

About (2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

(2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 124752724) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is (2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID124752724
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name(2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1cnc(C)c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1
InChIInChI=1S/C17H27N5O/c1-13-12-18-14(2)16(19-13)21-10-8-20(9-11-21)15(3)17(23)22-6-4-5-7-22/h12,15H,4-11H2,1-3H3/t15-/m1/s1
InChIKeyKHMFCFZIXDAGFB-OAHLLOKOSA-N
XLogP1.23
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133468891
2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 84593441
2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanenitrile
CID 65417963
(2S)-1-pyrrolidin-1-yl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
CID 124756386
(2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide
CID 99855050
(2R)-2-amino-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-3-methyl-3-methylsulfanylbutan-1-one;dihydrochloride
CID 163338152
2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine
CID 70724831
2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 136563355
5-[4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]pyridine-2-carbonitrile
CID 97055762
5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 86778895
1-[2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethyl]azepane
CID 171910200
1-(3,6-dimethylpyrazin-2-yl)-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 99855067

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 124752724) is (2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is Cc1cnc(C)c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1.
What is the InChIKey of (2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is KHMFCFZIXDAGFB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N5O/c1-13-12-18-14(2)16(19-13)21-10-8-20(9-11-21)15(3)17(23)22-6-4-5-7-22/h12,15H,4-11H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
(2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 317.44 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 124752724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).