N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide

C19H25N5O3 — CID 18144616

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCN(c3cnccn3)CC2)cc1OC
InChIInChI=1S/C19H25N5O3/c1-26-16-4-3-15(13-17(16)27-2)5-6-22-19(25)24-11-9-23(10-12-24)18-14-20-7-8-21-18/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,22,25)
InChIKeyDUFSSEBSNMDMTH-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.57
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide (PubChem CID 18144616) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
PubChem CID18144616
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCN(c3cnccn3)CC2)cc1OC
InChIInChI=1S/C19H25N5O3/c1-26-16-4-3-15(13-17(16)27-2)5-6-22-19(25)24-11-9-23(10-12-24)18-14-20-7-8-21-18/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,22,25)
InChIKeyDUFSSEBSNMDMTH-UHFFFAOYSA-N
XLogP1.57
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 33384548
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113109890
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 132970131
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103978
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108891424
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107031
4-(3,4-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109461
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108506303
4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
CID 38884997
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278606
4-(4-acetyl-2-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27534721
N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 38202199

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide (CID 18144616) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide is COc1ccc(CCNC(=O)N2CCN(c3cnccn3)CC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide?
The InChIKey is DUFSSEBSNMDMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-26-16-4-3-15(13-17(16)27-2)5-6-22-19(25)24-11-9-23(10-12-24)18-14-20-7-8-21-18/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 18144616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).