N-[(5R,9R)-2-[(3-methoxyphenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide

C21H26N4O3 — CID 155873123

About N-[(5R,9R)-2-[(3-methoxyphenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide

N-[(5R,9R)-2-[(3-methoxyphenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide (PubChem CID 155873123) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(5R,9R)-2-[(3-methoxyphenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(5R,9R)-2-[(3-methoxyphenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
• PubChem CID: 155873123
• Molecular Formula: C21H26N4O3
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: N-[(5R,9R)-2-[(3-methoxyphenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
• SMILES: COc1cccc(CN2CC[C@@]3(C[C@H](NC(=O)c4cnccn4)CCO3)C2)c1
• InChI: InChI=1S/C21H26N4O3/c1-27-18-4-2-3-16(11-18)14-25-9-6-21(15-25)12-17(5-10-28-21)24-20(26)19-13-22-7-8-23-19/h2-4,7-8,11,13,17H,5-6,9-10,12,14-15H2,1H3,(H,24,26)/t17-,21-/m1/s1
• InChIKey: PUUBSMHGHFIAIH-DYESRHJHSA-N
• XLogP: 2.04
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(5R,9R)-2-[(3-methoxyphenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[(5R,9R)-2-[(3-methoxyphenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide (CID 155873123) is N-[(5R,9R)-2-[(3-methoxyphenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[(5R,9R)-2-[(3-methoxyphenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[(5R,9R)-2-[(3-methoxyphenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide is COc1cccc(CN2CC[C@@]3(C[C@H](NC(=O)c4cnccn4)CCO3)C2)c1.

What is the InChIKey of N-[(5R,9R)-2-[(3-methoxyphenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide?

The InChIKey is PUUBSMHGHFIAIH-DYESRHJHSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-27-18-4-2-3-16(11-18)14-25-9-6-21(15-25)12-17(5-10-28-21)24-20(26)19-13-22-7-8-23-19/h2-4,7-8,11,13,17H,5-6,9-10,12,14-15H2,1H3,(H,24,26)/t17-,21-/m1/s1.

What are the key properties of N-[(5R,9R)-2-[(3-methoxyphenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide?

N-[(5R,9R)-2-[(3-methoxyphenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5R,9R)-2-[(3-methoxyphenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 155873123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).