4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]-propan-2-ylamino]ethyl]-1H-indole-2-carboxamide

C25H34N4O5 — CID 164544325

About 4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]-propan-2-ylamino]ethyl]-1H-indole-2-carboxamide

4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]-propan-2-ylamino]ethyl]-1H-indole-2-carboxamide (PubChem CID 164544325) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is 4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]-propan-2-ylamino]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]-propan-2-ylamino]ethyl]-1H-indole-2-carboxamide
• PubChem CID: 164544325
• Molecular Formula: C25H34N4O5
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.25
• IUPAC Name: 4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]-propan-2-ylamino]ethyl]-1H-indole-2-carboxamide
• SMILES: CCC(=O)[C@H](C[C@@H]1CCCNC1=O)N(C(=O)CNC(=O)c1cc2c(OC)cccc2[nH]1)C(C)C
• InChI: InChI=1S/C25H34N4O5/c1-5-21(30)20(12-16-8-7-11-26-24(16)32)29(15(2)3)23(31)14-27-25(33)19-13-17-18(28-19)9-6-10-22(17)34-4/h6,9-10,13,15-16,20,28H,5,7-8,11-12,14H2,1-4H3,(H,26,32)(H,27,33)/t16-,20-/m0/s1
• InChIKey: DALDLDSWYPIPNE-JXFKEZNVSA-N
• XLogP: 2.41
• TPSA: 120.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]-propan-2-ylamino]ethyl]-1H-indole-2-carboxamide?

The IUPAC name of 4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]-propan-2-ylamino]ethyl]-1H-indole-2-carboxamide (CID 164544325) is 4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]-propan-2-ylamino]ethyl]-1H-indole-2-carboxamide.

What is the SMILES notation for 4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]-propan-2-ylamino]ethyl]-1H-indole-2-carboxamide?

The canonical SMILES for 4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]-propan-2-ylamino]ethyl]-1H-indole-2-carboxamide is CCC(=O)[C@H](C[C@@H]1CCCNC1=O)N(C(=O)CNC(=O)c1cc2c(OC)cccc2[nH]1)C(C)C.

What is the InChIKey of 4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]-propan-2-ylamino]ethyl]-1H-indole-2-carboxamide?

The InChIKey is DALDLDSWYPIPNE-JXFKEZNVSA-N. The full InChI is InChI=1S/C25H34N4O5/c1-5-21(30)20(12-16-8-7-11-26-24(16)32)29(15(2)3)23(31)14-27-25(33)19-13-17-18(28-19)9-6-10-22(17)34-4/h6,9-10,13,15-16,20,28H,5,7-8,11-12,14H2,1-4H3,(H,26,32)(H,27,33)/t16-,20-/m0/s1.

What are the key properties of 4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]-propan-2-ylamino]ethyl]-1H-indole-2-carboxamide?

4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]-propan-2-ylamino]ethyl]-1H-indole-2-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 2.41, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]-propan-2-ylamino]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 164544325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).