4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide

C18H22N4O — CID 97191641

IUPAC4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide
SMILESO=C(NCCc1cnccn1)c1ccc([C@H]2CCCNC2)cc1
InChIInChI=1S/C18H22N4O/c23-18(22-9-7-17-13-20-10-11-21-17)15-5-3-14(4-6-15)16-2-1-8-19-12-16/h3-6,10-11,13,16,19H,1-2,7-9,12H2,(H,22,23)/t16-/m0/s1
InChIKeyREWJHLCDOLYWLQ-INIZCTEOSA-N
MW310.40 g/mol
LogP1.92
Rot. Bonds5

About 4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide

4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide (PubChem CID 97191641) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide
PubChem CID97191641
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide
SMILESO=C(NCCc1cnccn1)c1ccc([C@H]2CCCNC2)cc1
InChIInChI=1S/C18H22N4O/c23-18(22-9-7-17-13-20-10-11-21-17)15-5-3-14(4-6-15)16-2-1-8-19-12-16/h3-6,10-11,13,16,19H,1-2,7-9,12H2,(H,22,23)/t16-/m0/s1
InChIKeyREWJHLCDOLYWLQ-INIZCTEOSA-N
XLogP1.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-piperidin-3-yl-N-(2-pyrazin-2-ylethyl)benzamide
CID 72860445
N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide
CID 77082920
N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
N-cyclobutyl-4-[(3R)-piperidin-3-yl]benzamide
CID 97190592
N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97200837
N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride
CID 172654364
4-(cyclobutylsulfamoyl)-N-(2-pyrazin-2-ylethyl)benzamide
CID 70785168
N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide
CID 77084725
N-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide
CID 72890769
N-(3-cyclopentyloxypropyl)-4-[(3R)-piperidin-3-yl]benzamide
CID 97189956
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97207201
5-[(3S)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)pyrazin-2-amine
CID 95825535

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide?
The IUPAC name of 4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide (CID 97191641) is 4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide.
What is the SMILES notation for 4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide?
The canonical SMILES for 4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide is O=C(NCCc1cnccn1)c1ccc([C@H]2CCCNC2)cc1.
What is the InChIKey of 4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide?
The InChIKey is REWJHLCDOLYWLQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(22-9-7-17-13-20-10-11-21-17)15-5-3-14(4-6-15)16-2-1-8-19-12-16/h3-6,10-11,13,16,19H,1-2,7-9,12H2,(H,22,23)/t16-/m0/s1.
What are the key properties of 4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide?
4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide has a molecular weight of 310.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide is sourced from PubChem (CID 97191641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).