1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide

C23H31N5O3 — CID 156541117

About 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide

1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 156541117) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide
• PubChem CID: 156541117
• Molecular Formula: C23H31N5O3
• Molecular Weight: 425.53 g/mol
• Exact Mass: 425.24
• IUPAC Name: 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide
• SMILES: CCOc1ccccc1O[C@@H]1CCCN(c2cncc(N3CCC(C)(C(N)=O)C3)n2)C1
• InChI: InChI=1S/C23H31N5O3/c1-3-30-18-8-4-5-9-19(18)31-17-7-6-11-27(15-17)20-13-25-14-21(26-20)28-12-10-23(2,16-28)22(24)29/h4-5,8-9,13-14,17H,3,6-7,10-12,15-16H2,1-2H3,(H2,24,29)/t17-,23?/m1/s1
• InChIKey: VYOHNNKEIUPFIH-LIXIDFRTSA-N
• XLogP: 2.62
• TPSA: 93.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.53
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide?

The IUPAC name of 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide (CID 156541117) is 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide.

What is the SMILES notation for 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide?

The canonical SMILES for 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide is CCOc1ccccc1O[C@@H]1CCCN(c2cncc(N3CCC(C)(C(N)=O)C3)n2)C1.

What is the InChIKey of 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide?

The InChIKey is VYOHNNKEIUPFIH-LIXIDFRTSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-3-30-18-8-4-5-9-19(18)31-17-7-6-11-27(15-17)20-13-25-14-21(26-20)28-12-10-23(2,16-28)22(24)29/h4-5,8-9,13-14,17H,3,6-7,10-12,15-16H2,1-2H3,(H2,24,29)/t17-,23?/m1/s1.

What are the key properties of 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide?

1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 156541117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).