N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C17H20N4O2 — CID 136578446

IUPACN-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(NCc1cccc(O)c1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H20N4O2/c22-15-3-1-2-13(10-15)11-20-17(23)14-4-8-21(9-5-14)16-12-18-6-7-19-16/h1-3,6-7,10,12,14,22H,4-5,8-9,11H2,(H,20,23)
InChIKeyRRHYYEAWWXMIEY-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.72
Rot. Bonds4

About N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 136578446) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID136578446
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(NCc1cccc(O)c1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H20N4O2/c22-15-3-1-2-13(10-15)11-20-17(23)14-4-8-21(9-5-14)16-12-18-6-7-19-16/h1-3,6-7,10,12,14,22H,4-5,8-9,11H2,(H,20,23)
InChIKeyRRHYYEAWWXMIEY-UHFFFAOYSA-N
XLogP1.72
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 55712011
N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797292
1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38793437
N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792432
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134053537
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134007284
1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 23609091
N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 33288627
N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 99630106
N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 39172108
N-naphthalen-1-yl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 43815622

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 136578446) is N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is O=C(NCc1cccc(O)c1)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is RRHYYEAWWXMIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-15-3-1-2-13(10-15)11-20-17(23)14-4-8-21(9-5-14)16-12-18-6-7-19-16/h1-3,6-7,10,12,14,22H,4-5,8-9,11H2,(H,20,23).
What are the key properties of N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 136578446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).