6,8-dichloro-N-[(2R)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]propan-2-yl]-4-oxochromene-2-carboxamide

About 6,8-dichloro-N-[(2R)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]propan-2-yl]-4-oxochromene-2-carboxamide

6,8-dichloro-N-[(2R)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]propan-2-yl]-4-oxochromene-2-carboxamide (PubChem CID 58917429) has the molecular formula C36H34Cl3N3O4 and a molecular weight of 679.04 g/mol. Its IUPAC name is 6,8-dichloro-N-[(2R)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]propan-2-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name	6,8-dichloro-N-[(2R)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]propan-2-yl]-4-oxochromene-2-carboxamide
PubChem CID	58917429
Molecular Formula	C36H34Cl3N3O4
Molecular Weight	679.04 g/mol
Exact Mass	677.16
IUPAC Name	6,8-dichloro-N-[(2R)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]propan-2-yl]-4-oxochromene-2-carboxamide
SMILES	O=C(N[C@@H](C=C1CCN(c2ccccc2CN2CCCCC2=O)CC1)Cc1ccc(Cl)cc1)c1cc(=O)c2cc(Cl)cc(Cl)c2o1
InChI	InChI=1S/C36H34Cl3N3O4/c37-26-10-8-23(9-11-26)17-28(40-36(45)33-21-32(43)29-19-27(38)20-30(39)35(29)46-33)18-24-12-15-41(16-13-24)31-6-2-1-5-25(31)22-42-14-4-3-7-34(42)44/h1-2,5-6,8-11,18-21,28H,3-4,7,12-17,22H2,(H,40,45)/t28-/m1/s1
InChIKey	FFYPIIBOWFXIAM-MUUNZHRXSA-N
XLogP	7.83
TPSA	82.86 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	46
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.04
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-[(2R)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]propan-2-yl]-4-oxochromene-2-carboxamide?

The IUPAC name of 6,8-dichloro-N-[(2R)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]propan-2-yl]-4-oxochromene-2-carboxamide (CID 58917429) is 6,8-dichloro-N-[(2R)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]propan-2-yl]-4-oxochromene-2-carboxamide.

What is the SMILES notation for 6,8-dichloro-N-[(2R)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]propan-2-yl]-4-oxochromene-2-carboxamide?

The canonical SMILES for 6,8-dichloro-N-[(2R)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]propan-2-yl]-4-oxochromene-2-carboxamide is O=C(N[C@@H](C=C1CCN(c2ccccc2CN2CCCCC2=O)CC1)Cc1ccc(Cl)cc1)c1cc(=O)c2cc(Cl)cc(Cl)c2o1.

What is the InChIKey of 6,8-dichloro-N-[(2R)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]propan-2-yl]-4-oxochromene-2-carboxamide?

The InChIKey is FFYPIIBOWFXIAM-MUUNZHRXSA-N. The full InChI is InChI=1S/C36H34Cl3N3O4/c37-26-10-8-23(9-11-26)17-28(40-36(45)33-21-32(43)29-19-27(38)20-30(39)35(29)46-33)18-24-12-15-41(16-13-24)31-6-2-1-5-25(31)22-42-14-4-3-7-34(42)44/h1-2,5-6,8-11,18-21,28H,3-4,7,12-17,22H2,(H,40,45)/t28-/m1/s1.

What are the key properties of 6,8-dichloro-N-[(2R)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]propan-2-yl]-4-oxochromene-2-carboxamide?

6,8-dichloro-N-[(2R)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]propan-2-yl]-4-oxochromene-2-carboxamide has a molecular weight of 679.04 g/mol, XLogP of 7.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-dichloro-N-[(2R)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]propan-2-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 58917429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).