N-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide

C21H28N4O3 — CID 46392077

IUPACN-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2nccnc2Oc2ccc(C)cc2)CC1
InChIInChI=1S/C21H28N4O3/c1-16-4-6-18(7-5-16)28-21-19(22-11-12-24-21)25-13-8-17(9-14-25)20(26)23-10-3-15-27-2/h4-7,11-12,17H,3,8-10,13-15H2,1-2H3,(H,23,26)
InChIKeyNJMPCIXQAXSEGB-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.95
Rot. Bonds8

About N-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide

N-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 46392077) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
PubChem CID46392077
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2nccnc2Oc2ccc(C)cc2)CC1
InChIInChI=1S/C21H28N4O3/c1-16-4-6-18(7-5-16)28-21-19(22-11-12-24-21)25-13-8-17(9-14-25)20(26)23-10-3-15-27-2/h4-7,11-12,17H,3,8-10,13-15H2,1-2H3,(H,23,26)
InChIKeyNJMPCIXQAXSEGB-UHFFFAOYSA-N
XLogP2.95
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (CID 46392077) is N-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is COCCCNC(=O)C1CCN(c2nccnc2Oc2ccc(C)cc2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is NJMPCIXQAXSEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-16-4-6-18(7-5-16)28-21-19(22-11-12-24-21)25-13-8-17(9-14-25)20(26)23-10-3-15-27-2/h4-7,11-12,17H,3,8-10,13-15H2,1-2H3,(H,23,26).
What are the key properties of N-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
N-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46392077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).