N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C18H20F2N4O2 — CID 99630106

IUPACN-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(NC[C@H](O)c1c(F)cccc1F)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H20F2N4O2/c19-13-2-1-3-14(20)17(13)15(25)10-23-18(26)12-4-8-24(9-5-12)16-11-21-6-7-22-16/h1-3,6-7,11-12,15,25H,4-5,8-10H2,(H,23,26)/t15-/m0/s1
InChIKeyWOADPRSAJZWHBJ-HNNXBMFYSA-N
MW362.38 g/mol
LogP1.82
Rot. Bonds5

About N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 99630106) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID99630106
Molecular FormulaC18H20F2N4O2
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC NameN-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(NC[C@H](O)c1c(F)cccc1F)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H20F2N4O2/c19-13-2-1-3-14(20)17(13)15(25)10-23-18(26)12-4-8-24(9-5-12)16-11-21-6-7-22-16/h1-3,6-7,11-12,15,25H,4-5,8-10H2,(H,23,26)/t15-/m0/s1
InChIKeyWOADPRSAJZWHBJ-HNNXBMFYSA-N
XLogP1.82
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 136578446
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 111451652
(3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 38504692
(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068386
(3R)-N-[(2S)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068382
1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38793437
N-naphthalen-1-yl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 43815622
N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222644
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 55710621
N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797292
N-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 119549612
N-[2-(N-methylanilino)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134035168

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 99630106) is N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is O=C(NC[C@H](O)c1c(F)cccc1F)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is WOADPRSAJZWHBJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20F2N4O2/c19-13-2-1-3-14(20)17(13)15(25)10-23-18(26)12-4-8-24(9-5-12)16-11-21-6-7-22-16/h1-3,6-7,11-12,15,25H,4-5,8-10H2,(H,23,26)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 99630106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).