N-[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-[hydroxy-(4-methoxy-1H-indol-2-yl)methyl]-2-azaspiro[4.5]decane-3-carboxamide

C30H41N5O4 — CID 170027733

About N-[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-[hydroxy-(4-methoxy-1H-indol-2-yl)methyl]-2-azaspiro[4.5]decane-3-carboxamide

N-[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-[hydroxy-(4-methoxy-1H-indol-2-yl)methyl]-2-azaspiro[4.5]decane-3-carboxamide (PubChem CID 170027733) has the molecular formula C30H41N5O4 and a molecular weight of 535.69 g/mol. Its IUPAC name is N-[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-[hydroxy-(4-methoxy-1H-indol-2-yl)methyl]-2-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-[hydroxy-(4-methoxy-1H-indol-2-yl)methyl]-2-azaspiro[4.5]decane-3-carboxamide
• PubChem CID: 170027733
• Molecular Formula: C30H41N5O4
• Molecular Weight: 535.69 g/mol
• Exact Mass: 535.32
• IUPAC Name: N-[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-[hydroxy-(4-methoxy-1H-indol-2-yl)methyl]-2-azaspiro[4.5]decane-3-carboxamide
• SMILES: COc1cccc2[nH]c(C(O)N3CC4(CCCCC4)CC3C(=O)NC(C#N)CC3CCC(C)(C)NC3=O)cc12
• InChI: InChI=1S/C30H41N5O4/c1-29(2)13-10-19(26(36)34-29)14-20(17-31)32-27(37)24-16-30(11-5-4-6-12-30)18-35(24)28(38)23-15-21-22(33-23)8-7-9-25(21)39-3/h7-9,15,19-20,24,28,33,38H,4-6,10-14,16,18H2,1-3H3,(H,32,37)(H,34,36)
• InChIKey: UJGXKOGADJYHSN-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 130.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.69
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-[hydroxy-(4-methoxy-1H-indol-2-yl)methyl]-2-azaspiro[4.5]decane-3-carboxamide?

The IUPAC name of N-[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-[hydroxy-(4-methoxy-1H-indol-2-yl)methyl]-2-azaspiro[4.5]decane-3-carboxamide (CID 170027733) is N-[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-[hydroxy-(4-methoxy-1H-indol-2-yl)methyl]-2-azaspiro[4.5]decane-3-carboxamide.

What is the SMILES notation for N-[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-[hydroxy-(4-methoxy-1H-indol-2-yl)methyl]-2-azaspiro[4.5]decane-3-carboxamide?

The canonical SMILES for N-[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-[hydroxy-(4-methoxy-1H-indol-2-yl)methyl]-2-azaspiro[4.5]decane-3-carboxamide is COc1cccc2[nH]c(C(O)N3CC4(CCCCC4)CC3C(=O)NC(C#N)CC3CCC(C)(C)NC3=O)cc12.

What is the InChIKey of N-[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-[hydroxy-(4-methoxy-1H-indol-2-yl)methyl]-2-azaspiro[4.5]decane-3-carboxamide?

The InChIKey is UJGXKOGADJYHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O4/c1-29(2)13-10-19(26(36)34-29)14-20(17-31)32-27(37)24-16-30(11-5-4-6-12-30)18-35(24)28(38)23-15-21-22(33-23)8-7-9-25(21)39-3/h7-9,15,19-20,24,28,33,38H,4-6,10-14,16,18H2,1-3H3,(H,32,37)(H,34,36).

What are the key properties of N-[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-[hydroxy-(4-methoxy-1H-indol-2-yl)methyl]-2-azaspiro[4.5]decane-3-carboxamide?

N-[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-[hydroxy-(4-methoxy-1H-indol-2-yl)methyl]-2-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 535.69 g/mol, XLogP of 3.90, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-[hydroxy-(4-methoxy-1H-indol-2-yl)methyl]-2-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 170027733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).