(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]piperidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]piperidin-1-yl]-2-phenylethanone

C50H56N6O2 — CID 147550608

About (2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]piperidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]piperidin-1-yl]-2-phenylethanone

(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]piperidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]piperidin-1-yl]-2-phenylethanone (PubChem CID 147550608) has the molecular formula C50H56N6O2 and a molecular weight of 773.04 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]piperidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

• Compound Name: (2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]piperidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]piperidin-1-yl]-2-phenylethanone
• PubChem CID: 147550608
• Molecular Formula: C50H56N6O2
• Molecular Weight: 773.04 g/mol
• Exact Mass: 772.45
• IUPAC Name: (2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]piperidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]piperidin-1-yl]-2-phenylethanone
• SMILES: CN(C)[C@@H](C(=O)N1CCCC[C@H]1C1=NC=C(c2ccc(-c3ccc(C4=CN=C([C@@H]5CCCCN5C(=O)[C@@H](c5ccccc5)N(C)C)C4)cc3)cc2)C1)c1ccccc1
• InChI: InChI=1S/C50H56N6O2/c1-53(2)47(39-15-7-5-8-16-39)49(57)55-29-13-11-19-45(55)43-31-41(33-51-43)37-25-21-35(22-26-37)36-23-27-38(28-24-36)42-32-44(52-34-42)46-20-12-14-30-56(46)50(58)48(54(3)4)40-17-9-6-10-18-40/h5-10,15-18,21-28,33-34,45-48H,11-14,19-20,29-32H2,1-4H3/t45-,46-,47+,48+/m0/s1
• InChIKey: FQRSIXPDXGWNCF-JRTLPCBOSA-N
• XLogP: 9.09
• TPSA: 71.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.04
LogP ≤ 5	9.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]piperidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]piperidin-1-yl]-2-phenylethanone?

The IUPAC name of (2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]piperidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]piperidin-1-yl]-2-phenylethanone (CID 147550608) is (2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]piperidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]piperidin-1-yl]-2-phenylethanone.

What is the SMILES notation for (2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]piperidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]piperidin-1-yl]-2-phenylethanone?

The canonical SMILES for (2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]piperidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]piperidin-1-yl]-2-phenylethanone is CN(C)[C@@H](C(=O)N1CCCC[C@H]1C1=NC=C(c2ccc(-c3ccc(C4=CN=C([C@@H]5CCCCN5C(=O)[C@@H](c5ccccc5)N(C)C)C4)cc3)cc2)C1)c1ccccc1.

What is the InChIKey of (2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]piperidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]piperidin-1-yl]-2-phenylethanone?

The InChIKey is FQRSIXPDXGWNCF-JRTLPCBOSA-N. The full InChI is InChI=1S/C50H56N6O2/c1-53(2)47(39-15-7-5-8-16-39)49(57)55-29-13-11-19-45(55)43-31-41(33-51-43)37-25-21-35(22-26-37)36-23-27-38(28-24-36)42-32-44(52-34-42)46-20-12-14-30-56(46)50(58)48(54(3)4)40-17-9-6-10-18-40/h5-10,15-18,21-28,33-34,45-48H,11-14,19-20,29-32H2,1-4H3/t45-,46-,47+,48+/m0/s1.

What are the key properties of (2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]piperidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]piperidin-1-yl]-2-phenylethanone?

(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]piperidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]piperidin-1-yl]-2-phenylethanone has a molecular weight of 773.04 g/mol, XLogP of 9.09, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]piperidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 147550608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).