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

C25H28N4O2 — CID 46392185

IUPAC1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCc1cccc(Oc2nccnc2N2CCC(C(=O)NC(C)c3ccccc3)CC2)c1
InChIInChI=1S/C25H28N4O2/c1-18-7-6-10-22(17-18)31-25-23(26-13-14-27-25)29-15-11-21(12-16-29)24(30)28-19(2)20-8-4-3-5-9-20/h3-10,13-14,17,19,21H,11-12,15-16H2,1-2H3,(H,28,30)
InChIKeyMMLXEQHPQWLKPW-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.67
Rot. Bonds6

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

1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(1-phenylethyl)piperidine-4-carboxamide (PubChem CID 46392185) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(1-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(1-phenylethyl)piperidine-4-carboxamide
PubChem CID46392185
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCc1cccc(Oc2nccnc2N2CCC(C(=O)NC(C)c3ccccc3)CC2)c1
InChIInChI=1S/C25H28N4O2/c1-18-7-6-10-22(17-18)31-25-23(26-13-14-27-25)29-15-11-21(12-16-29)24(30)28-19(2)20-8-4-3-5-9-20/h3-10,13-14,17,19,21H,11-12,15-16H2,1-2H3,(H,28,30)
InChIKeyMMLXEQHPQWLKPW-UHFFFAOYSA-N
XLogP4.67
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(1-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(1-phenylethyl)piperidine-4-carboxamide (CID 46392185) is 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(1-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(1-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(1-phenylethyl)piperidine-4-carboxamide is Cc1cccc(Oc2nccnc2N2CCC(C(=O)NC(C)c3ccccc3)CC2)c1.
What is the InChIKey of 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(1-phenylethyl)piperidine-4-carboxamide?
The InChIKey is MMLXEQHPQWLKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-18-7-6-10-22(17-18)31-25-23(26-13-14-27-25)29-15-11-21(12-16-29)24(30)28-19(2)20-8-4-3-5-9-20/h3-10,13-14,17,19,21H,11-12,15-16H2,1-2H3,(H,28,30).
What are the key properties of 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(1-phenylethyl)piperidine-4-carboxamide?
1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(1-phenylethyl)piperidine-4-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(1-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46392185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).