2-[[(2S)-piperidin-2-yl]methylamino]-1-pyrazin-2-ylethanone

C12H18N4O — CID 97165671

IUPAC2-[[(2S)-piperidin-2-yl]methylamino]-1-pyrazin-2-ylethanone
SMILESO=C(CNC[C@@H]1CCCCN1)c1cnccn1
InChIInChI=1S/C12H18N4O/c17-12(11-8-13-5-6-16-11)9-14-7-10-3-1-2-4-15-10/h5-6,8,10,14-15H,1-4,7,9H2/t10-/m0/s1
InChIKeyAQCDPSDQEHPFRN-JTQLQIEISA-N
MW234.30 g/mol
LogP0.39
Rot. Bonds5

About 2-[[(2S)-piperidin-2-yl]methylamino]-1-pyrazin-2-ylethanone

2-[[(2S)-piperidin-2-yl]methylamino]-1-pyrazin-2-ylethanone (PubChem CID 97165671) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[[(2S)-piperidin-2-yl]methylamino]-1-pyrazin-2-ylethanone.

Molecular Properties

Compound Name2-[[(2S)-piperidin-2-yl]methylamino]-1-pyrazin-2-ylethanone
PubChem CID97165671
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[[(2S)-piperidin-2-yl]methylamino]-1-pyrazin-2-ylethanone
SMILESO=C(CNC[C@@H]1CCCCN1)c1cnccn1
InChIInChI=1S/C12H18N4O/c17-12(11-8-13-5-6-16-11)9-14-7-10-3-1-2-4-15-10/h5-6,8,10,14-15H,1-4,7,9H2/t10-/m0/s1
InChIKeyAQCDPSDQEHPFRN-JTQLQIEISA-N
XLogP0.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrazin-2-yl-2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanone
CID 97165683
2-cyclopentyl-1-pyrazin-2-ylethanone
CID 62622099
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 97164269
2-piperidin-2-yl-1-pyridin-2-ylethanone
CID 79539171
2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone
CID 71645064
2-piperidin-4-yl-1-pyrazin-2-ylethanone
CID 116559954
N-(piperidin-2-ylmethyl)-1-pyrazin-2-ylethanamine
CID 71637820
(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide
CID 97162101
1-[(2R)-piperidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 97178382
N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine
CID 106634516
2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride
CID 71645679
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide
CID 106611769

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-piperidin-2-yl]methylamino]-1-pyrazin-2-ylethanone?
The IUPAC name of 2-[[(2S)-piperidin-2-yl]methylamino]-1-pyrazin-2-ylethanone (CID 97165671) is 2-[[(2S)-piperidin-2-yl]methylamino]-1-pyrazin-2-ylethanone.
What is the SMILES notation for 2-[[(2S)-piperidin-2-yl]methylamino]-1-pyrazin-2-ylethanone?
The canonical SMILES for 2-[[(2S)-piperidin-2-yl]methylamino]-1-pyrazin-2-ylethanone is O=C(CNC[C@@H]1CCCCN1)c1cnccn1.
What is the InChIKey of 2-[[(2S)-piperidin-2-yl]methylamino]-1-pyrazin-2-ylethanone?
The InChIKey is AQCDPSDQEHPFRN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N4O/c17-12(11-8-13-5-6-16-11)9-14-7-10-3-1-2-4-15-10/h5-6,8,10,14-15H,1-4,7,9H2/t10-/m0/s1.
What are the key properties of 2-[[(2S)-piperidin-2-yl]methylamino]-1-pyrazin-2-ylethanone?
2-[[(2S)-piperidin-2-yl]methylamino]-1-pyrazin-2-ylethanone has a molecular weight of 234.30 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-piperidin-2-yl]methylamino]-1-pyrazin-2-ylethanone is sourced from PubChem (CID 97165671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).