N-[(3R,4R)-1-(1-benzofuran-2-ylmethyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide

C19H20N4O3 — CID 70704731

IUPACN-[(3R,4R)-1-(1-benzofuran-2-ylmethyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2cc3ccccc3o2)C[C@H]1O)c1cnccn1
InChIInChI=1S/C19H20N4O3/c24-17-12-23(11-14-9-13-3-1-2-4-18(13)26-14)8-5-15(17)22-19(25)16-10-20-6-7-21-16/h1-4,6-7,9-10,15,17,24H,5,8,11-12H2,(H,22,25)/t15-,17-/m1/s1
InChIKeyCEGVXEPWCRZQDV-NVXWUHKLSA-N
MW352.39 g/mol
LogP1.59
Rot. Bonds4

About N-[(3R,4R)-1-(1-benzofuran-2-ylmethyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide

N-[(3R,4R)-1-(1-benzofuran-2-ylmethyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 70704731) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(3R,4R)-1-(1-benzofuran-2-ylmethyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-(1-benzofuran-2-ylmethyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
PubChem CID70704731
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[(3R,4R)-1-(1-benzofuran-2-ylmethyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2cc3ccccc3o2)C[C@H]1O)c1cnccn1
InChIInChI=1S/C19H20N4O3/c24-17-12-23(11-14-9-13-3-1-2-4-18(13)26-14)8-5-15(17)22-19(25)16-10-20-6-7-21-16/h1-4,6-7,9-10,15,17,24H,5,8,11-12H2,(H,22,25)/t15-,17-/m1/s1
InChIKeyCEGVXEPWCRZQDV-NVXWUHKLSA-N
XLogP1.59
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-(1-benzofuran-2-ylmethyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-1-(1-benzofuran-2-ylmethyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide (CID 70704731) is N-[(3R,4R)-1-(1-benzofuran-2-ylmethyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-(1-benzofuran-2-ylmethyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-(1-benzofuran-2-ylmethyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide is O=C(N[C@@H]1CCN(Cc2cc3ccccc3o2)C[C@H]1O)c1cnccn1.
What is the InChIKey of N-[(3R,4R)-1-(1-benzofuran-2-ylmethyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is CEGVXEPWCRZQDV-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-17-12-23(11-14-9-13-3-1-2-4-18(13)26-14)8-5-15(17)22-19(25)16-10-20-6-7-21-16/h1-4,6-7,9-10,15,17,24H,5,8,11-12H2,(H,22,25)/t15-,17-/m1/s1.
What are the key properties of N-[(3R,4R)-1-(1-benzofuran-2-ylmethyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide?
N-[(3R,4R)-1-(1-benzofuran-2-ylmethyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-(1-benzofuran-2-ylmethyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 70704731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).