(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C18H22N4O2 — CID 94068386

IUPAC(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NC[C@H](O)c1ccccc1)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C18H22N4O2/c23-16(14-5-2-1-3-6-14)11-21-18(24)15-7-4-10-22(13-15)17-12-19-8-9-20-17/h1-3,5-6,8-9,12,15-16,23H,4,7,10-11,13H2,(H,21,24)/t15-,16-/m0/s1
InChIKeyJMQDVISJHBUQST-HOTGVXAUSA-N
MW326.40 g/mol
LogP1.54
Rot. Bonds5

About (3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 94068386) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID94068386
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NC[C@H](O)c1ccccc1)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C18H22N4O2/c23-16(14-5-2-1-3-6-14)11-21-18(24)15-7-4-10-22(13-15)17-12-19-8-9-20-17/h1-3,5-6,8-9,12,15-16,23H,4,7,10-11,13H2,(H,21,24)/t15-,16-/m0/s1
InChIKeyJMQDVISJHBUQST-HOTGVXAUSA-N
XLogP1.54
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(2S)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068382
N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46596626
(3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 38504692
(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37024045
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51934569
(3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37400735
N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 71942635
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
(3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51934536
N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46573311
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3S)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639433

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 94068386) is (3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is O=C(NC[C@H](O)c1ccccc1)[C@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of (3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is JMQDVISJHBUQST-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-16(14-5-2-1-3-6-14)11-21-18(24)15-7-4-10-22(13-15)17-12-19-8-9-20-17/h1-3,5-6,8-9,12,15-16,23H,4,7,10-11,13H2,(H,21,24)/t15-,16-/m0/s1.
What are the key properties of (3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 94068386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).