1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

C19H24N4O4 — CID 46573508

IUPAC1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN(c3cnccn3)C2)cc(OC)c1OC
InChIInChI=1S/C19H24N4O4/c1-25-15-9-14(10-16(26-2)18(15)27-3)22-19(24)13-5-4-8-23(12-13)17-11-20-6-7-21-17/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H,22,24)
InChIKeyQPPWQUUMSSEXGM-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.36
Rot. Bonds6

About 1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide (PubChem CID 46573508) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
PubChem CID46573508
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN(c3cnccn3)C2)cc(OC)c1OC
InChIInChI=1S/C19H24N4O4/c1-25-15-9-14(10-16(26-2)18(15)27-3)22-19(24)13-5-4-8-23(12-13)17-11-20-6-7-21-17/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H,22,24)
InChIKeyQPPWQUUMSSEXGM-UHFFFAOYSA-N
XLogP2.36
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 97264345
(3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36981777
(3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94161179
N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024919
(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37070977
(3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94632049
(3S)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94632050
N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46573311
1-(3-phenylsulfanylpyrazin-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 46392345
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
N-(3-methyl-4-pyridin-3-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 166280142

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide (CID 46573508) is 1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide is COc1cc(NC(=O)C2CCCN(c3cnccn3)C2)cc(OC)c1OC.
What is the InChIKey of 1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is QPPWQUUMSSEXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-25-15-9-14(10-16(26-2)18(15)27-3)22-19(24)13-5-4-8-23(12-13)17-11-20-6-7-21-17/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H,22,24).
What are the key properties of 1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 46573508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).