(3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C18H20F2N4O2 — CID 38504692

IUPAC(3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NC[C@@H](O)c1ccc(F)c(F)c1)[C@@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C18H20F2N4O2/c19-14-4-3-12(8-15(14)20)16(25)9-23-18(26)13-2-1-7-24(11-13)17-10-21-5-6-22-17/h3-6,8,10,13,16,25H,1-2,7,9,11H2,(H,23,26)/t13-,16-/m1/s1
InChIKeyDXOTYLGYJNMHCE-CZUORRHYSA-N
MW362.38 g/mol
LogP1.82
Rot. Bonds5

About (3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

(3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 38504692) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID38504692
Molecular FormulaC18H20F2N4O2
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC Name(3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NC[C@@H](O)c1ccc(F)c(F)c1)[C@@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C18H20F2N4O2/c19-14-4-3-12(8-15(14)20)16(25)9-23-18(26)13-2-1-7-24(11-13)17-10-21-5-6-22-17/h3-6,8,10,13,16,25H,1-2,7,9,11H2,(H,23,26)/t13-,16-/m1/s1
InChIKeyDXOTYLGYJNMHCE-CZUORRHYSA-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

(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
N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46596626
(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 99630106
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51934569
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045944
(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37024045
(3S)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639433
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950718

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 38504692) is (3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is O=C(NC[C@@H](O)c1ccc(F)c(F)c1)[C@@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of (3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is DXOTYLGYJNMHCE-CZUORRHYSA-N. The full InChI is InChI=1S/C18H20F2N4O2/c19-14-4-3-12(8-15(14)20)16(25)9-23-18(26)13-2-1-7-24(11-13)17-10-21-5-6-22-17/h3-6,8,10,13,16,25H,1-2,7,9,11H2,(H,23,26)/t13-,16-/m1/s1.
What are the key properties of (3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-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 (3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 38504692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).