[(3S)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone

C17H24N6O — CID 124976884

IUPAC[(3S)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCN(C)c1nccnc1C[C@@H]1CCCN(C(=O)c2nccn2C)C1
InChIInChI=1S/C17H24N6O/c1-21(2)15-14(18-6-7-19-15)11-13-5-4-9-23(12-13)17(24)16-20-8-10-22(16)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3/t13-/m0/s1
InChIKeyLIPKGCXLJQADDX-ZDUSSCGKSA-N
MW328.42 g/mol
LogP1.37
Rot. Bonds4

About [(3S)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone

[(3S)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 124976884) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is [(3S)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID124976884
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name[(3S)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCN(C)c1nccnc1C[C@@H]1CCCN(C(=O)c2nccn2C)C1
InChIInChI=1S/C17H24N6O/c1-21(2)15-14(18-6-7-19-15)11-13-5-4-9-23(12-13)17(24)16-20-8-10-22(16)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3/t13-/m0/s1
InChIKeyLIPKGCXLJQADDX-ZDUSSCGKSA-N
XLogP1.37
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110113329
[(3S)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 125023073
1-[(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 124982567
(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 125014655
cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124987285
[(3S)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 31053519
(1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110096423
azepan-1-yl-(1-methylimidazol-2-yl)methanone
CID 78994199
3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide
CID 110113337
N,N-dimethyl-3-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]pyrazin-2-amine
CID 110095072
[2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110311478
(1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124980175

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [(3S)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone (CID 124976884) is [(3S)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [(3S)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [(3S)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone is CN(C)c1nccnc1C[C@@H]1CCCN(C(=O)c2nccn2C)C1.
What is the InChIKey of [(3S)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is LIPKGCXLJQADDX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N6O/c1-21(2)15-14(18-6-7-19-15)11-13-5-4-9-23(12-13)17(24)16-20-8-10-22(16)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3/t13-/m0/s1.
What are the key properties of [(3S)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
[(3S)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 1.37, 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]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 124976884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).