4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]-N-[3-(1H-indol-6-ylamino)-3-oxopropyl]benzamide

C30H31N5O4 — CID 67113560

About 4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]-N-[3-(1H-indol-6-ylamino)-3-oxopropyl]benzamide

4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]-N-[3-(1H-indol-6-ylamino)-3-oxopropyl]benzamide (PubChem CID 67113560) has the molecular formula C30H31N5O4 and a molecular weight of 525.61 g/mol. Its IUPAC name is 4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]-N-[3-(1H-indol-6-ylamino)-3-oxopropyl]benzamide.

Molecular Properties

• Compound Name: 4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]-N-[3-(1H-indol-6-ylamino)-3-oxopropyl]benzamide
• PubChem CID: 67113560
• Molecular Formula: C30H31N5O4
• Molecular Weight: 525.61 g/mol
• Exact Mass: 525.24
• IUPAC Name: 4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]-N-[3-(1H-indol-6-ylamino)-3-oxopropyl]benzamide
• SMILES: O=C(CCNC(=O)c1ccc(NC(=O)c2ccc(N3CCC(O)CC3)cc2)cc1)Nc1ccc2cc[nH]c2c1
• InChI: InChI=1S/C30H31N5O4/c36-26-13-17-35(18-14-26)25-9-4-22(5-10-25)30(39)34-23-6-2-21(3-7-23)29(38)32-16-12-28(37)33-24-8-1-20-11-15-31-27(20)19-24/h1-11,15,19,26,31,36H,12-14,16-18H2,(H,32,38)(H,33,37)(H,34,39)
• InChIKey: DXKUADKCSLQHHH-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 126.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.61
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]-N-[3-(1H-indol-6-ylamino)-3-oxopropyl]benzamide?

The IUPAC name of 4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]-N-[3-(1H-indol-6-ylamino)-3-oxopropyl]benzamide (CID 67113560) is 4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]-N-[3-(1H-indol-6-ylamino)-3-oxopropyl]benzamide.

What is the SMILES notation for 4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]-N-[3-(1H-indol-6-ylamino)-3-oxopropyl]benzamide?

The canonical SMILES for 4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]-N-[3-(1H-indol-6-ylamino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(NC(=O)c2ccc(N3CCC(O)CC3)cc2)cc1)Nc1ccc2cc[nH]c2c1.

What is the InChIKey of 4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]-N-[3-(1H-indol-6-ylamino)-3-oxopropyl]benzamide?

The InChIKey is DXKUADKCSLQHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O4/c36-26-13-17-35(18-14-26)25-9-4-22(5-10-25)30(39)34-23-6-2-21(3-7-23)29(38)32-16-12-28(37)33-24-8-1-20-11-15-31-27(20)19-24/h1-11,15,19,26,31,36H,12-14,16-18H2,(H,32,38)(H,33,37)(H,34,39).

What are the key properties of 4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]-N-[3-(1H-indol-6-ylamino)-3-oxopropyl]benzamide?

4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]-N-[3-(1H-indol-6-ylamino)-3-oxopropyl]benzamide has a molecular weight of 525.61 g/mol, XLogP of 4.14, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]-N-[3-(1H-indol-6-ylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 67113560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).