N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide

C22H27N5O2 — CID 38795279

IUPACN-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)C2CCN(c3cnccn3)CC2)CC1)c1ccccc1
InChIInChI=1S/C22H27N5O2/c28-21(17-4-2-1-3-5-17)25-19-8-14-27(15-9-19)22(29)18-6-12-26(13-7-18)20-16-23-10-11-24-20/h1-5,10-11,16,18-19H,6-9,12-15H2,(H,25,28)
InChIKeyGVQPKXQROAKDIY-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.11
Rot. Bonds4

About N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide

N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide (PubChem CID 38795279) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide
PubChem CID38795279
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)C2CCN(c3cnccn3)CC2)CC1)c1ccccc1
InChIInChI=1S/C22H27N5O2/c28-21(17-4-2-1-3-5-17)25-19-8-14-27(15-9-19)22(29)18-6-12-26(13-7-18)20-16-23-10-11-24-20/h1-5,10-11,16,18-19H,6-9,12-15H2,(H,25,28)
InChIKeyGVQPKXQROAKDIY-UHFFFAOYSA-N
XLogP2.11
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-3-carboxamide
CID 133273014
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 55710621
1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 23609685
(2R)-2-cyclopentyl-2-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)acetamide
CID 125164422
N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide
CID 33378138
3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
CID 118780415
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 52898200
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
[1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18133999
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 99990589
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 134053570

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide (CID 38795279) is N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)C2CCN(c3cnccn3)CC2)CC1)c1ccccc1.
What is the InChIKey of N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is GVQPKXQROAKDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c28-21(17-4-2-1-3-5-17)25-19-8-14-27(15-9-19)22(29)18-6-12-26(13-7-18)20-16-23-10-11-24-20/h1-5,10-11,16,18-19H,6-9,12-15H2,(H,25,28).
What are the key properties of N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide?
N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 393.49 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 38795279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).