N-(3,4-dimethoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide

C18H22N4O3 — CID 3222633

IUPACN-(3,4-dimethoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3cnccn3)CC2)cc1OC
InChIInChI=1S/C18H22N4O3/c1-24-15-4-3-14(11-16(15)25-2)21-18(23)13-5-9-22(10-6-13)17-12-19-7-8-20-17/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,21,23)
InChIKeyXMFLUNATWYAALB-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.35
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide

N-(3,4-dimethoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 3222633) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID3222633
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(3,4-dimethoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3cnccn3)CC2)cc1OC
InChIInChI=1S/C18H22N4O3/c1-24-15-4-3-14(11-16(15)25-2)21-18(23)13-5-9-22(10-6-13)17-12-19-7-8-20-17/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,21,23)
InChIKeyXMFLUNATWYAALB-UHFFFAOYSA-N
XLogP2.35
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 3222633) is N-(3,4-dimethoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3cnccn3)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is XMFLUNATWYAALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-15-4-3-14(11-16(15)25-2)21-18(23)13-5-9-22(10-6-13)17-12-19-7-8-20-17/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-(3,4-dimethoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3222633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).