5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide

C21H28N4O2 — CID 109276089

IUPAC5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
SMILESCOCCCNC(=O)c1cnc(N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C21H28N4O2/c1-27-13-5-10-22-21(26)19-15-24-20(16-23-19)25-11-8-18(9-12-25)14-17-6-3-2-4-7-17/h2-4,6-7,15-16,18H,5,8-14H2,1H3,(H,22,26)
InChIKeyPWUKCTHKGFQOIH-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.70
Rot. Bonds8

About 5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide

5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide (PubChem CID 109276089) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
PubChem CID109276089
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
SMILESCOCCCNC(=O)c1cnc(N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C21H28N4O2/c1-27-13-5-10-22-21(26)19-15-24-20(16-23-19)25-11-8-18(9-12-25)14-17-6-3-2-4-7-17/h2-4,6-7,15-16,18H,5,8-14H2,1H3,(H,22,26)
InChIKeyPWUKCTHKGFQOIH-UHFFFAOYSA-N
XLogP2.70
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide
CID 109272418
5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184262
5-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrazine-2-carboxamide
CID 109273957
6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153028
5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276095
5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide
CID 109180700
4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide
CID 109045307
5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide
CID 109288490
N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275219
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 109275707
N-(3-methoxypropyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183419
N-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275192

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide (CID 109276089) is 5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide is COCCCNC(=O)c1cnc(N2CCC(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide?
The InChIKey is PWUKCTHKGFQOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-27-13-5-10-22-21(26)19-15-24-20(16-23-19)25-11-8-18(9-12-25)14-17-6-3-2-4-7-17/h2-4,6-7,15-16,18H,5,8-14H2,1H3,(H,22,26).
What are the key properties of 5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide?
5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109276089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).