N-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C18H23N5O — CID 119549612

IUPACN-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESNc1ccc(CCNC(=O)C2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C18H23N5O/c19-16-3-1-14(2-4-16)5-8-22-18(24)15-6-11-23(12-7-15)17-13-20-9-10-21-17/h1-4,9-10,13,15H,5-8,11-12,19H2,(H,22,24)
InChIKeyLRLOPPALDXVCST-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.63
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

N-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 119549612) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID119549612
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESNc1ccc(CCNC(=O)C2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C18H23N5O/c19-16-3-1-14(2-4-16)5-8-22-18(24)15-6-11-23(12-7-15)17-13-20-9-10-21-17/h1-4,9-10,13,15H,5-8,11-12,19H2,(H,22,24)
InChIKeyLRLOPPALDXVCST-UHFFFAOYSA-N
XLogP1.63
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797292
N-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 86925418
N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38793437
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134053537
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134007284
N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 95623720
N-[2-(N-methylanilino)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134035168
N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 136578446
N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792102
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792432
N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46431901

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 119549612) is N-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is Nc1ccc(CCNC(=O)C2CCN(c3cnccn3)CC2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is LRLOPPALDXVCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c19-16-3-1-14(2-4-16)5-8-22-18(24)15-6-11-23(12-7-15)17-13-20-9-10-21-17/h1-4,9-10,13,15H,5-8,11-12,19H2,(H,22,24).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 119549612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).