1'-[2-(cyclopentylcarbamoylamino)-3-(1H-indol-3-yl)propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide

C33H41N5O3 — CID 22091626

About 1'-[2-(cyclopentylcarbamoylamino)-3-(1H-indol-3-yl)propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide

1'-[2-(cyclopentylcarbamoylamino)-3-(1H-indol-3-yl)propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide (PubChem CID 22091626) has the molecular formula C33H41N5O3 and a molecular weight of 555.72 g/mol. Its IUPAC name is 1'-[2-(cyclopentylcarbamoylamino)-3-(1H-indol-3-yl)propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide.

Molecular Properties

• Compound Name: 1'-[2-(cyclopentylcarbamoylamino)-3-(1H-indol-3-yl)propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
• PubChem CID: 22091626
• Molecular Formula: C33H41N5O3
• Molecular Weight: 555.72 g/mol
• Exact Mass: 555.32
• IUPAC Name: 1'-[2-(cyclopentylcarbamoylamino)-3-(1H-indol-3-yl)propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
• SMILES: CN(C)C(=O)C1CC2(CCN(C(=O)C(Cc3c[nH]c4ccccc34)NC(=O)NC3CCCC3)CC2)c2ccccc21
• InChI: InChI=1S/C33H41N5O3/c1-37(2)30(39)26-20-33(27-13-7-5-12-25(26)27)15-17-38(18-16-33)31(40)29(36-32(41)35-23-9-3-4-10-23)19-22-21-34-28-14-8-6-11-24(22)28/h5-8,11-14,21,23,26,29,34H,3-4,9-10,15-20H2,1-2H3,(H2,35,36,41)
• InChIKey: QMCSAKCXRBLJIW-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 97.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.72
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(cyclopentylcarbamoylamino)-3-(1H-indol-3-yl)propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?

The IUPAC name of 1'-[2-(cyclopentylcarbamoylamino)-3-(1H-indol-3-yl)propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide (CID 22091626) is 1'-[2-(cyclopentylcarbamoylamino)-3-(1H-indol-3-yl)propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide.

What is the SMILES notation for 1'-[2-(cyclopentylcarbamoylamino)-3-(1H-indol-3-yl)propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?

The canonical SMILES for 1'-[2-(cyclopentylcarbamoylamino)-3-(1H-indol-3-yl)propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide is CN(C)C(=O)C1CC2(CCN(C(=O)C(Cc3c[nH]c4ccccc34)NC(=O)NC3CCCC3)CC2)c2ccccc21.

What is the InChIKey of 1'-[2-(cyclopentylcarbamoylamino)-3-(1H-indol-3-yl)propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?

The InChIKey is QMCSAKCXRBLJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N5O3/c1-37(2)30(39)26-20-33(27-13-7-5-12-25(26)27)15-17-38(18-16-33)31(40)29(36-32(41)35-23-9-3-4-10-23)19-22-21-34-28-14-8-6-11-24(22)28/h5-8,11-14,21,23,26,29,34H,3-4,9-10,15-20H2,1-2H3,(H2,35,36,41).

What are the key properties of 1'-[2-(cyclopentylcarbamoylamino)-3-(1H-indol-3-yl)propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?

1'-[2-(cyclopentylcarbamoylamino)-3-(1H-indol-3-yl)propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide has a molecular weight of 555.72 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[2-(cyclopentylcarbamoylamino)-3-(1H-indol-3-yl)propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 22091626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).