3-[7-[(3R)-3-[[4-(4-methylphenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propanamide;thiophene

C33H40N4O2S — CID 142015578

About 3-[7-[(3R)-3-[[4-(4-methylphenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propanamide;thiophene

3-[7-[(3R)-3-[[4-(4-methylphenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propanamide;thiophene (PubChem CID 142015578) has the molecular formula C33H40N4O2S and a molecular weight of 556.78 g/mol. Its IUPAC name is 3-[7-[(3R)-3-[[4-(4-methylphenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propanamide;thiophene.

Molecular Properties

• Compound Name: 3-[7-[(3R)-3-[[4-(4-methylphenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propanamide;thiophene
• PubChem CID: 142015578
• Molecular Formula: C33H40N4O2S
• Molecular Weight: 556.78 g/mol
• Exact Mass: 556.29
• IUPAC Name: 3-[7-[(3R)-3-[[4-(4-methylphenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propanamide;thiophene
• SMILES: Cc1ccc(C2CCN(C[C@H]3CCN(C(=O)c4cccc5ccn(CCC(N)=O)c45)C3)CC2)cc1.c1ccsc1
• InChI: InChI=1S/C29H36N4O2.C4H4S/c1-21-5-7-23(8-6-21)24-10-14-31(15-11-24)19-22-9-16-33(20-22)29(35)26-4-2-3-25-12-17-32(28(25)26)18-13-27(30)34;1-2-4-5-3-1/h2-8,12,17,22,24H,9-11,13-16,18-20H2,1H3,(H2,30,34);1-4H/t22-;/m1./s1
• InChIKey: UAGDNEJLFUCMBY-VZYDHVRKSA-N
• XLogP: 5.91
• TPSA: 71.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.78
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[7-[(3R)-3-[[4-(4-methylphenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propanamide;thiophene?

The IUPAC name of 3-[7-[(3R)-3-[[4-(4-methylphenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propanamide;thiophene (CID 142015578) is 3-[7-[(3R)-3-[[4-(4-methylphenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propanamide;thiophene.

What is the SMILES notation for 3-[7-[(3R)-3-[[4-(4-methylphenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propanamide;thiophene?

The canonical SMILES for 3-[7-[(3R)-3-[[4-(4-methylphenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propanamide;thiophene is Cc1ccc(C2CCN(C[C@H]3CCN(C(=O)c4cccc5ccn(CCC(N)=O)c45)C3)CC2)cc1.c1ccsc1.

What is the InChIKey of 3-[7-[(3R)-3-[[4-(4-methylphenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propanamide;thiophene?

The InChIKey is UAGDNEJLFUCMBY-VZYDHVRKSA-N. The full InChI is InChI=1S/C29H36N4O2.C4H4S/c1-21-5-7-23(8-6-21)24-10-14-31(15-11-24)19-22-9-16-33(20-22)29(35)26-4-2-3-25-12-17-32(28(25)26)18-13-27(30)34;1-2-4-5-3-1/h2-8,12,17,22,24H,9-11,13-16,18-20H2,1H3,(H2,30,34);1-4H/t22-;/m1./s1.

What are the key properties of 3-[7-[(3R)-3-[[4-(4-methylphenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propanamide;thiophene?

3-[7-[(3R)-3-[[4-(4-methylphenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propanamide;thiophene has a molecular weight of 556.78 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[(3R)-3-[[4-(4-methylphenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propanamide;thiophene is sourced from PubChem (CID 142015578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).