[4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone

C12H18N4O — CID 115304614

IUPAC[4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCNC1(C)CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C12H18N4O/c1-12(13-2)3-7-16(8-4-12)11(17)10-9-14-5-6-15-10/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyFPQBNWYGJPSTEX-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.69
Rot. Bonds2

About [4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone

[4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 115304614) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is [4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID115304614
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name[4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCNC1(C)CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C12H18N4O/c1-12(13-2)3-7-16(8-4-12)11(17)10-9-14-5-6-15-10/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyFPQBNWYGJPSTEX-UHFFFAOYSA-N
XLogP0.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone
CID 97412790
[4-methyl-4-(methylamino)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 115304598
(1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone
CID 110743459
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
N'-hydroxy-4-methylsulfanyl-1-(pyrazine-2-carbonyl)piperidine-4-carboximidamide
CID 77108813
2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108569993
N-methyl-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
CID 131640770
(4,4-dimethylpiperidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone
CID 114035906
[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 121200756
N-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98894476
N,N-dimethyl-2-[1-oxo-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 97370251
(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155836968

Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone (CID 115304614) is [4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone is CNC1(C)CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of [4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is FPQBNWYGJPSTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-12(13-2)3-7-16(8-4-12)11(17)10-9-14-5-6-15-10/h5-6,9,13H,3-4,7-8H2,1-2H3.
What are the key properties of [4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 234.30 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 115304614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).