(2R)-2-amino-1-[4-(1H-indol-4-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;N-[(2R)-1-[4-(1H-indol-4-yl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]formamide

C41H46N10O3 — CID 158747877

About (2R)-2-amino-1-[4-(1H-indol-4-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;N-[(2R)-1-[4-(1H-indol-4-yl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]formamide

(2R)-2-amino-1-[4-(1H-indol-4-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;N-[(2R)-1-[4-(1H-indol-4-yl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]formamide (PubChem CID 158747877) has the molecular formula C41H46N10O3 and a molecular weight of 726.89 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(1H-indol-4-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;N-[(2R)-1-[4-(1H-indol-4-yl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]formamide.

Molecular Properties

• Compound Name: (2R)-2-amino-1-[4-(1H-indol-4-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;N-[(2R)-1-[4-(1H-indol-4-yl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]formamide
• PubChem CID: 158747877
• Molecular Formula: C41H46N10O3
• Molecular Weight: 726.89 g/mol
• Exact Mass: 726.38
• IUPAC Name: (2R)-2-amino-1-[4-(1H-indol-4-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;N-[(2R)-1-[4-(1H-indol-4-yl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]formamide
• SMILES: N[C@H](Cc1ccccn1)C(=O)N1CCN(c2cccc3[nH]ccc23)CC1.O=CN[C@H](Cc1ccccn1)C(=O)N1CCN(c2cccc3[nH]ccc23)CC1
• InChI: InChI=1S/C21H23N5O2.C20H23N5O/c27-15-24-19(14-16-4-1-2-8-22-16)21(28)26-12-10-25(11-13-26)20-6-3-5-18-17(20)7-9-23-18;21-17(14-15-4-1-2-8-22-15)20(26)25-12-10-24(11-13-25)19-6-3-5-18-16(19)7-9-23-18/h1-9,15,19,23H,10-14H2,(H,24,27);1-9,17,23H,10-14,21H2/t19-;17-/m11/s1
• InChIKey: INCJKNDIEUKHNT-QNFVJCEESA-N
• XLogP: 3.35
• TPSA: 159.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	726.89
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(1H-indol-4-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;N-[(2R)-1-[4-(1H-indol-4-yl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]formamide?

The IUPAC name of (2R)-2-amino-1-[4-(1H-indol-4-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;N-[(2R)-1-[4-(1H-indol-4-yl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]formamide (CID 158747877) is (2R)-2-amino-1-[4-(1H-indol-4-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;N-[(2R)-1-[4-(1H-indol-4-yl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]formamide.

What is the SMILES notation for (2R)-2-amino-1-[4-(1H-indol-4-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;N-[(2R)-1-[4-(1H-indol-4-yl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]formamide?

The canonical SMILES for (2R)-2-amino-1-[4-(1H-indol-4-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;N-[(2R)-1-[4-(1H-indol-4-yl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]formamide is N[C@H](Cc1ccccn1)C(=O)N1CCN(c2cccc3[nH]ccc23)CC1.O=CN[C@H](Cc1ccccn1)C(=O)N1CCN(c2cccc3[nH]ccc23)CC1.

What is the InChIKey of (2R)-2-amino-1-[4-(1H-indol-4-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;N-[(2R)-1-[4-(1H-indol-4-yl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]formamide?

The InChIKey is INCJKNDIEUKHNT-QNFVJCEESA-N. The full InChI is InChI=1S/C21H23N5O2.C20H23N5O/c27-15-24-19(14-16-4-1-2-8-22-16)21(28)26-12-10-25(11-13-26)20-6-3-5-18-17(20)7-9-23-18;21-17(14-15-4-1-2-8-22-15)20(26)25-12-10-24(11-13-25)19-6-3-5-18-16(19)7-9-23-18/h1-9,15,19,23H,10-14H2,(H,24,27);1-9,17,23H,10-14,21H2/t19-;17-/m11/s1.

What are the key properties of (2R)-2-amino-1-[4-(1H-indol-4-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;N-[(2R)-1-[4-(1H-indol-4-yl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]formamide?

(2R)-2-amino-1-[4-(1H-indol-4-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;N-[(2R)-1-[4-(1H-indol-4-yl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]formamide has a molecular weight of 726.89 g/mol, XLogP of 3.35, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-1-[4-(1H-indol-4-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;N-[(2R)-1-[4-(1H-indol-4-yl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]formamide is sourced from PubChem (CID 158747877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).