4-[4-(diethylcarbamoyl)phenyl]-N,N-di(propan-2-yl)spiro[chromene-2,4'-piperidine]-6-carboxamide

C31H41N3O3 — CID 59674341

About 4-[4-(diethylcarbamoyl)phenyl]-N,N-di(propan-2-yl)spiro[chromene-2,4'-piperidine]-6-carboxamide

4-[4-(diethylcarbamoyl)phenyl]-N,N-di(propan-2-yl)spiro[chromene-2,4'-piperidine]-6-carboxamide (PubChem CID 59674341) has the molecular formula C31H41N3O3 and a molecular weight of 503.69 g/mol. Its IUPAC name is 4-[4-(diethylcarbamoyl)phenyl]-N,N-di(propan-2-yl)spiro[chromene-2,4'-piperidine]-6-carboxamide.

Molecular Properties

• Compound Name: 4-[4-(diethylcarbamoyl)phenyl]-N,N-di(propan-2-yl)spiro[chromene-2,4'-piperidine]-6-carboxamide
• PubChem CID: 59674341
• Molecular Formula: C31H41N3O3
• Molecular Weight: 503.69 g/mol
• Exact Mass: 503.31
• IUPAC Name: 4-[4-(diethylcarbamoyl)phenyl]-N,N-di(propan-2-yl)spiro[chromene-2,4'-piperidine]-6-carboxamide
• SMILES: CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccc(C(=O)N(C(C)C)C(C)C)cc32)cc1
• InChI: InChI=1S/C31H41N3O3/c1-7-33(8-2)29(35)24-11-9-23(10-12-24)27-20-31(15-17-32-18-16-31)37-28-14-13-25(19-26(27)28)30(36)34(21(3)4)22(5)6/h9-14,19-22,32H,7-8,15-18H2,1-6H3
• InChIKey: YAOBNIFXRVCDAD-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.69
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylcarbamoyl)phenyl]-N,N-di(propan-2-yl)spiro[chromene-2,4'-piperidine]-6-carboxamide?

The IUPAC name of 4-[4-(diethylcarbamoyl)phenyl]-N,N-di(propan-2-yl)spiro[chromene-2,4'-piperidine]-6-carboxamide (CID 59674341) is 4-[4-(diethylcarbamoyl)phenyl]-N,N-di(propan-2-yl)spiro[chromene-2,4'-piperidine]-6-carboxamide.

What is the SMILES notation for 4-[4-(diethylcarbamoyl)phenyl]-N,N-di(propan-2-yl)spiro[chromene-2,4'-piperidine]-6-carboxamide?

The canonical SMILES for 4-[4-(diethylcarbamoyl)phenyl]-N,N-di(propan-2-yl)spiro[chromene-2,4'-piperidine]-6-carboxamide is CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccc(C(=O)N(C(C)C)C(C)C)cc32)cc1.

What is the InChIKey of 4-[4-(diethylcarbamoyl)phenyl]-N,N-di(propan-2-yl)spiro[chromene-2,4'-piperidine]-6-carboxamide?

The InChIKey is YAOBNIFXRVCDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N3O3/c1-7-33(8-2)29(35)24-11-9-23(10-12-24)27-20-31(15-17-32-18-16-31)37-28-14-13-25(19-26(27)28)30(36)34(21(3)4)22(5)6/h9-14,19-22,32H,7-8,15-18H2,1-6H3.

What are the key properties of 4-[4-(diethylcarbamoyl)phenyl]-N,N-di(propan-2-yl)spiro[chromene-2,4'-piperidine]-6-carboxamide?

4-[4-(diethylcarbamoyl)phenyl]-N,N-di(propan-2-yl)spiro[chromene-2,4'-piperidine]-6-carboxamide has a molecular weight of 503.69 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(diethylcarbamoyl)phenyl]-N,N-di(propan-2-yl)spiro[chromene-2,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 59674341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).