(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide

C24H27Cl2N3O5S — CID 124561397

About (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide

(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide (PubChem CID 124561397) has the molecular formula C24H27Cl2N3O5S and a molecular weight of 540.47 g/mol. Its IUPAC name is (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
• PubChem CID: 124561397
• Molecular Formula: C24H27Cl2N3O5S
• Molecular Weight: 540.47 g/mol
• Exact Mass: 539.10
• IUPAC Name: (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
• SMILES: O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1
• InChI: InChI=1S/C24H27Cl2N3O5S/c25-20-8-7-17(14-21(20)26)16-35(32,33)29-9-3-4-18(15-29)23(30)27-22-6-2-1-5-19(22)24(31)28-10-12-34-13-11-28/h1-2,5-8,14,18H,3-4,9-13,15-16H2,(H,27,30)/t18-/m1/s1
• InChIKey: CCPFYSKCUPZGIW-GOSISDBHSA-N
• XLogP: 3.65
• TPSA: 96.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.47
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide (CID 124561397) is (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1.

What is the InChIKey of (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide?

The InChIKey is CCPFYSKCUPZGIW-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27Cl2N3O5S/c25-20-8-7-17(14-21(20)26)16-35(32,33)29-9-3-4-18(15-29)23(30)27-22-6-2-1-5-19(22)24(31)28-10-12-34-13-11-28/h1-2,5-8,14,18H,3-4,9-13,15-16H2,(H,27,30)/t18-/m1/s1.

What are the key properties of (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide?

(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide has a molecular weight of 540.47 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 124561397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).