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

C27H31N5O3 — CID 50834252

IUPAC1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c1
InChIInChI=1S/C27H31N5O3/c1-20-3-2-4-24(19-20)35-27-25(28-11-12-29-27)32-13-9-21(10-14-32)26(33)30-22-5-7-23(8-6-22)31-15-17-34-18-16-31/h2-8,11-12,19,21H,9-10,13-18H2,1H3,(H,30,33)
InChIKeyHGWNLRZNPJGLIA-UHFFFAOYSA-N
MW473.58 g/mol
LogP4.27
Rot. Bonds6

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

1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide (PubChem CID 50834252) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
PubChem CID50834252
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c1
InChIInChI=1S/C27H31N5O3/c1-20-3-2-4-24(19-20)35-27-25(28-11-12-29-27)32-13-9-21(10-14-32)26(33)30-22-5-7-23(8-6-22)31-15-17-34-18-16-31/h2-8,11-12,19,21H,9-10,13-18H2,1H3,(H,30,33)
InChIKeyHGWNLRZNPJGLIA-UHFFFAOYSA-N
XLogP4.27
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834326
N-(3,4-dimethylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834395
N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834297
N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392191
1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 92884014
N-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392098
N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834387
N-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834660
N-(3-ethylphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834418
N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834258
N-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834661
4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 71040468

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide (CID 50834252) is 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide is Cc1cccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c1.
What is the InChIKey of 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The InChIKey is HGWNLRZNPJGLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-20-3-2-4-24(19-20)35-27-25(28-11-12-29-27)32-13-9-21(10-14-32)26(33)30-22-5-7-23(8-6-22)31-15-17-34-18-16-31/h2-8,11-12,19,21H,9-10,13-18H2,1H3,(H,30,33).
What are the key properties of 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 50834252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).