5-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrazine-2-carboxamide

C22H28N4O — CID 109273957

IUPAC5-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrazine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C22H28N4O/c27-22(25-19-8-4-5-9-19)20-15-24-21(16-23-20)26-12-10-18(11-13-26)14-17-6-2-1-3-7-17/h1-3,6-7,15-16,18-19H,4-5,8-14H2,(H,25,27)
InChIKeyCXRKGSWUYISJMA-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.61
Rot. Bonds5

About 5-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrazine-2-carboxamide

5-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrazine-2-carboxamide (PubChem CID 109273957) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrazine-2-carboxamide
PubChem CID109273957
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name5-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrazine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C22H28N4O/c27-22(25-19-8-4-5-9-19)20-15-24-21(16-23-20)26-12-10-18(11-13-26)14-17-6-2-1-3-7-17/h1-3,6-7,15-16,18-19H,4-5,8-14H2,(H,25,27)
InChIKeyCXRKGSWUYISJMA-UHFFFAOYSA-N
XLogP3.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide
CID 121028303
5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide
CID 109272418
5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276089
2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249597
5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide
CID 109288490
N-cyclopropyl-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109271555
N-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275249
N-cyclohexyl-5-(4-formylpiperidin-1-yl)pyrazine-2-carboxamide
CID 167041254
N-cyclopentyl-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109273889
N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109274695
N-cyclopentyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine-2-carboxamide
CID 109273939
5-(4-benzylpiperazin-1-yl)-N-cyclopentylpyridine-2-carboxamide
CID 109182201

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrazine-2-carboxamide?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrazine-2-carboxamide (CID 109273957) is 5-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrazine-2-carboxamide?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrazine-2-carboxamide is O=C(NC1CCCC1)c1cnc(N2CCC(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrazine-2-carboxamide?
The InChIKey is CXRKGSWUYISJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-22(25-19-8-4-5-9-19)20-15-24-21(16-23-20)26-12-10-18(11-13-26)14-17-6-2-1-3-7-17/h1-3,6-7,15-16,18-19H,4-5,8-14H2,(H,25,27).
What are the key properties of 5-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrazine-2-carboxamide?
5-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrazine-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrazine-2-carboxamide is sourced from PubChem (CID 109273957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).