8'-(diethylamino)-4'-phenyl-2'-piperidin-1-ylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one

C33H32N4O3 — CID 56629954

IUPAC8'-(diethylamino)-4'-phenyl-2'-piperidin-1-ylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one
SMILESCCN(CC)c1ccc2c(c1)Oc1nc(N3CCCCC3)nc(-c3ccccc3)c1C21OC(=O)c2ccccc21
InChIInChI=1S/C33H32N4O3/c1-3-36(4-2)23-17-18-26-27(21-23)39-30-28(33(26)25-16-10-9-15-24(25)31(38)40-33)29(22-13-7-5-8-14-22)34-32(35-30)37-19-11-6-12-20-37/h5,7-10,13-18,21H,3-4,6,11-12,19-20H2,1-2H3
InChIKeyBAOXODUGJGGNRH-UHFFFAOYSA-N
MW532.64 g/mol
LogP6.55
Rot. Bonds5

About 8'-(diethylamino)-4'-phenyl-2'-piperidin-1-ylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one

8'-(diethylamino)-4'-phenyl-2'-piperidin-1-ylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one (PubChem CID 56629954) has the molecular formula C33H32N4O3 and a molecular weight of 532.64 g/mol. Its IUPAC name is 8'-(diethylamino)-4'-phenyl-2'-piperidin-1-ylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one.

Molecular Properties

Compound Name8'-(diethylamino)-4'-phenyl-2'-piperidin-1-ylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one
PubChem CID56629954
Molecular FormulaC33H32N4O3
Molecular Weight532.64 g/mol
Exact Mass532.25
IUPAC Name8'-(diethylamino)-4'-phenyl-2'-piperidin-1-ylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one
SMILESCCN(CC)c1ccc2c(c1)Oc1nc(N3CCCCC3)nc(-c3ccccc3)c1C21OC(=O)c2ccccc21
InChIInChI=1S/C33H32N4O3/c1-3-36(4-2)23-17-18-26-27(21-23)39-30-28(33(26)25-16-10-9-15-24(25)31(38)40-33)29(22-13-7-5-8-14-22)34-32(35-30)37-19-11-6-12-20-37/h5,7-10,13-18,21H,3-4,6,11-12,19-20H2,1-2H3
InChIKeyBAOXODUGJGGNRH-UHFFFAOYSA-N
XLogP6.55
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8'-(diethylamino)-4'-phenyl-2'-piperidin-1-ylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one?
The IUPAC name of 8'-(diethylamino)-4'-phenyl-2'-piperidin-1-ylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one (CID 56629954) is 8'-(diethylamino)-4'-phenyl-2'-piperidin-1-ylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one.
What is the SMILES notation for 8'-(diethylamino)-4'-phenyl-2'-piperidin-1-ylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one?
The canonical SMILES for 8'-(diethylamino)-4'-phenyl-2'-piperidin-1-ylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one is CCN(CC)c1ccc2c(c1)Oc1nc(N3CCCCC3)nc(-c3ccccc3)c1C21OC(=O)c2ccccc21.
What is the InChIKey of 8'-(diethylamino)-4'-phenyl-2'-piperidin-1-ylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one?
The InChIKey is BAOXODUGJGGNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O3/c1-3-36(4-2)23-17-18-26-27(21-23)39-30-28(33(26)25-16-10-9-15-24(25)31(38)40-33)29(22-13-7-5-8-14-22)34-32(35-30)37-19-11-6-12-20-37/h5,7-10,13-18,21H,3-4,6,11-12,19-20H2,1-2H3.
What are the key properties of 8'-(diethylamino)-4'-phenyl-2'-piperidin-1-ylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one?
8'-(diethylamino)-4'-phenyl-2'-piperidin-1-ylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one has a molecular weight of 532.64 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-(diethylamino)-4'-phenyl-2'-piperidin-1-ylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one is sourced from PubChem (CID 56629954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).