(3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone

C17H21N5O2 — CID 95315165

IUPAC(3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
SMILESNc1nccnc1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C17H21N5O2/c18-16-15(19-6-7-20-16)17(24)22-10-8-21(9-11-22)12-14(23)13-4-2-1-3-5-13/h1-7,14,23H,8-12H2,(H2,18,20)/t14-/m1/s1
InChIKeyUNLRFTCLWSMXIL-CQSZACIVSA-N
MW327.39 g/mol
LogP0.55
Rot. Bonds4

About (3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone

(3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone (PubChem CID 95315165) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
PubChem CID95315165
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
SMILESNc1nccnc1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C17H21N5O2/c18-16-15(19-6-7-20-16)17(24)22-10-8-21(9-11-22)12-14(23)13-4-2-1-3-5-13/h1-7,14,23H,8-12H2,(H2,18,20)/t14-/m1/s1
InChIKeyUNLRFTCLWSMXIL-CQSZACIVSA-N
XLogP0.55
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 95319016
(3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38480245
2-[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31152252
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95351959
(2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95601930
[4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone
CID 119880014
[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95601881
(3-aminopyrazin-2-yl)-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone
CID 39152618
ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
CID 2106477
ethyl 4-(2-hydroxy-2-phenylethyl)piperazine-1-carboxylate
CID 3269514
(2,4-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95604299
(2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95346732

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone?
The IUPAC name of (3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone (CID 95315165) is (3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone is Nc1nccnc1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1.
What is the InChIKey of (3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone?
The InChIKey is UNLRFTCLWSMXIL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N5O2/c18-16-15(19-6-7-20-16)17(24)22-10-8-21(9-11-22)12-14(23)13-4-2-1-3-5-13/h1-7,14,23H,8-12H2,(H2,18,20)/t14-/m1/s1.
What are the key properties of (3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone?
(3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone has a molecular weight of 327.39 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95315165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).