(3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone

C17H20N4O2 — CID 38480245

IUPAC(3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESNc1nccnc1C(=O)N1CCC([C@H](O)c2ccccc2)CC1
InChIInChI=1S/C17H20N4O2/c18-16-14(19-8-9-20-16)17(23)21-10-6-13(7-11-21)15(22)12-4-2-1-3-5-12/h1-5,8-9,13,15,22H,6-7,10-11H2,(H2,18,20)/t15-/m1/s1
InChIKeyYQBLITXRDIMUBG-OAHLLOKOSA-N
MW312.37 g/mol
LogP1.64
Rot. Bonds3

About (3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone

(3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone (PubChem CID 38480245) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
PubChem CID38480245
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESNc1nccnc1C(=O)N1CCC([C@H](O)c2ccccc2)CC1
InChIInChI=1S/C17H20N4O2/c18-16-14(19-8-9-20-16)17(23)21-10-6-13(7-11-21)15(22)12-4-2-1-3-5-12/h1-5,8-9,13,15,22H,6-7,10-11H2,(H2,18,20)/t15-/m1/s1
InChIKeyYQBLITXRDIMUBG-OAHLLOKOSA-N
XLogP1.64
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopyrazin-2-yl)-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111112295
(3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95315165
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 56811767
[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 94173190
[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 95278919
(5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 31058355
(2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 95143740
(3-amino-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110909517
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 46511035
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 136577275
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 111462920

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone (CID 38480245) is (3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone is Nc1nccnc1C(=O)N1CCC([C@H](O)c2ccccc2)CC1.
What is the InChIKey of (3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is YQBLITXRDIMUBG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N4O2/c18-16-14(19-8-9-20-16)17(23)21-10-6-13(7-11-21)15(22)12-4-2-1-3-5-12/h1-5,8-9,13,15,22H,6-7,10-11H2,(H2,18,20)/t15-/m1/s1.
What are the key properties of (3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
(3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 312.37 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 38480245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).