4-(4-chlorophenyl)-N-[4-[3-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide;molecular hydrogen

C28H38ClN5O2 — CID 160666769

About 4-(4-chlorophenyl)-N-[4-[3-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide;molecular hydrogen

4-(4-chlorophenyl)-N-[4-[3-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide;molecular hydrogen (PubChem CID 160666769) has the molecular formula C28H38ClN5O2 and a molecular weight of 512.10 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[4-[3-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-(4-chlorophenyl)-N-[4-[3-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide;molecular hydrogen
• PubChem CID: 160666769
• Molecular Formula: C28H38ClN5O2
• Molecular Weight: 512.10 g/mol
• Exact Mass: 511.27
• IUPAC Name: 4-(4-chlorophenyl)-N-[4-[3-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide;molecular hydrogen
• SMILES: CN(C)C1CCN(C2CCN(c3ccc(NC(=O)N4CCC(c5ccc(Cl)cc5)CC4)cc3)C2)C1=O.[H][H]
• InChI: InChI=1S/C28H36ClN5O2.H2/c1-31(2)26-14-18-34(27(26)35)25-13-17-33(19-25)24-9-7-23(8-10-24)30-28(36)32-15-11-21(12-16-32)20-3-5-22(29)6-4-20;/h3-10,21,25-26H,11-19H2,1-2H3,(H,30,36);1H
• InChIKey: RMKDSLYJCULFQD-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 59.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.10
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[4-[3-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide;molecular hydrogen?

The IUPAC name of 4-(4-chlorophenyl)-N-[4-[3-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide;molecular hydrogen (CID 160666769) is 4-(4-chlorophenyl)-N-[4-[3-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 4-(4-chlorophenyl)-N-[4-[3-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide;molecular hydrogen?

The canonical SMILES for 4-(4-chlorophenyl)-N-[4-[3-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide;molecular hydrogen is CN(C)C1CCN(C2CCN(c3ccc(NC(=O)N4CCC(c5ccc(Cl)cc5)CC4)cc3)C2)C1=O.[H][H].

What is the InChIKey of 4-(4-chlorophenyl)-N-[4-[3-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide;molecular hydrogen?

The InChIKey is RMKDSLYJCULFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36ClN5O2.H2/c1-31(2)26-14-18-34(27(26)35)25-13-17-33(19-25)24-9-7-23(8-10-24)30-28(36)32-15-11-21(12-16-32)20-3-5-22(29)6-4-20;/h3-10,21,25-26H,11-19H2,1-2H3,(H,30,36);1H.

What are the key properties of 4-(4-chlorophenyl)-N-[4-[3-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide;molecular hydrogen?

4-(4-chlorophenyl)-N-[4-[3-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide;molecular hydrogen has a molecular weight of 512.10 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chlorophenyl)-N-[4-[3-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 160666769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).