2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one

C20H26N4O3 — CID 95823252

IUPAC2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)C(C)(C)N)C1
InChIInChI=1S/C20H26N4O3/c1-20(2,21)19(25)24-12-6-7-14(13-24)17-18(23-11-10-22-17)27-16-9-5-4-8-15(16)26-3/h4-5,8-11,14H,6-7,12-13,21H2,1-3H3/t14-/m1/s1
InChIKeyRBJCUTVXHPTFDV-CQSZACIVSA-N
MW370.45 g/mol
LogP2.72
Rot. Bonds5

About 2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one

2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 95823252) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID95823252
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)C(C)(C)N)C1
InChIInChI=1S/C20H26N4O3/c1-20(2,21)19(25)24-12-6-7-14(13-24)17-18(23-11-10-22-17)27-16-9-5-4-8-15(16)26-3/h4-5,8-11,14H,6-7,12-13,21H2,1-3H3/t14-/m1/s1
InChIKeyRBJCUTVXHPTFDV-CQSZACIVSA-N
XLogP2.72
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821902
3-chloro-1-[3-[3-(2-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 175654669
N-[2-methyl-1-[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]-2-phenylacetamide
CID 132767919
[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone
CID 125008764
[3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone
CID 110151576
1-[3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110256201
2-chloro-1-[3-[3-(2-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175658243
2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823499
2-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine
CID 125003830
2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95823275
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95822355
[(3R)-3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 95823091

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one (CID 95823252) is 2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one is COc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)C(C)(C)N)C1.
What is the InChIKey of 2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is RBJCUTVXHPTFDV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-20(2,21)19(25)24-12-6-7-14(13-24)17-18(23-11-10-22-17)27-16-9-5-4-8-15(16)26-3/h4-5,8-11,14H,6-7,12-13,21H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one?
2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 370.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 95823252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).