1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one

C18H24N4OS — CID 124991653

IUPAC1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESCNc1nccnc1C[C@H]1CCCN(C(=O)CCc2cccs2)C1
InChIInChI=1S/C18H24N4OS/c1-19-18-16(20-8-9-21-18)12-14-4-2-10-22(13-14)17(23)7-6-15-5-3-11-24-15/h3,5,8-9,11,14H,2,4,6-7,10,12-13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyPKYIRNTVMHUCRJ-CQSZACIVSA-N
MW344.48 g/mol
LogP2.99
Rot. Bonds6

About 1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one

1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 124991653) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID124991653
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESCNc1nccnc1C[C@H]1CCCN(C(=O)CCc2cccs2)C1
InChIInChI=1S/C18H24N4OS/c1-19-18-16(20-8-9-21-18)12-14-4-2-10-22(13-14)17(23)7-6-15-5-3-11-24-15/h3,5,8-9,11,14H,2,4,6-7,10,12-13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyPKYIRNTVMHUCRJ-CQSZACIVSA-N
XLogP2.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one with MolForge

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Related Compounds

3-amino-1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 110113301
1-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124996672
1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 43422310
1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 125012361
2-(2-fluorophenyl)-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125003518
1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124995402
1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 110119236
2-(2-methoxyphenyl)-1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110113252
2-(3-fluorophenyl)-1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124964415
1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 125021173
1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 127247595
(2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124956924

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (CID 124991653) is 1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one is CNc1nccnc1C[C@H]1CCCN(C(=O)CCc2cccs2)C1.
What is the InChIKey of 1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is PKYIRNTVMHUCRJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-19-18-16(20-8-9-21-18)12-14-4-2-10-22(13-14)17(23)7-6-15-5-3-11-24-15/h3,5,8-9,11,14H,2,4,6-7,10,12-13H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 344.48 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 124991653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).