5-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-1-yl-1,2,4-triazine-6-carboxamide;1-prop-1-en-2-ylpiperidine-4-carboxamide

C29H41N9O4 — CID 144858006

About 5-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-1-yl-1,2,4-triazine-6-carboxamide;1-prop-1-en-2-ylpiperidine-4-carboxamide

5-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-1-yl-1,2,4-triazine-6-carboxamide;1-prop-1-en-2-ylpiperidine-4-carboxamide (PubChem CID 144858006) has the molecular formula C29H41N9O4 and a molecular weight of 579.71 g/mol. Its IUPAC name is 5-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-1-yl-1,2,4-triazine-6-carboxamide;1-prop-1-en-2-ylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 5-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-1-yl-1,2,4-triazine-6-carboxamide;1-prop-1-en-2-ylpiperidine-4-carboxamide
• PubChem CID: 144858006
• Molecular Formula: C29H41N9O4
• Molecular Weight: 579.71 g/mol
• Exact Mass: 579.33
• IUPAC Name: 5-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-1-yl-1,2,4-triazine-6-carboxamide;1-prop-1-en-2-ylpiperidine-4-carboxamide
• SMILES: C=C(C)N1CCC(C(N)=O)CC1.NC(=O)c1nnc(N2CCCCC2)nc1Nc1ccc(C(=O)N2CCOCC2)cc1
• InChI: InChI=1S/C20H25N7O3.C9H16N2O/c21-17(28)16-18(23-20(25-24-16)27-8-2-1-3-9-27)22-15-6-4-14(5-7-15)19(29)26-10-12-30-13-11-26;1-7(2)11-5-3-8(4-6-11)9(10)12/h4-7H,1-3,8-13H2,(H2,21,28)(H,22,23,25);8H,1,3-6H2,2H3,(H2,10,12)
• InChIKey: FSKMOMDIFCHYOV-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 172.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.71
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-1-yl-1,2,4-triazine-6-carboxamide;1-prop-1-en-2-ylpiperidine-4-carboxamide?

The IUPAC name of 5-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-1-yl-1,2,4-triazine-6-carboxamide;1-prop-1-en-2-ylpiperidine-4-carboxamide (CID 144858006) is 5-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-1-yl-1,2,4-triazine-6-carboxamide;1-prop-1-en-2-ylpiperidine-4-carboxamide.

What is the SMILES notation for 5-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-1-yl-1,2,4-triazine-6-carboxamide;1-prop-1-en-2-ylpiperidine-4-carboxamide?

The canonical SMILES for 5-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-1-yl-1,2,4-triazine-6-carboxamide;1-prop-1-en-2-ylpiperidine-4-carboxamide is C=C(C)N1CCC(C(N)=O)CC1.NC(=O)c1nnc(N2CCCCC2)nc1Nc1ccc(C(=O)N2CCOCC2)cc1.

What is the InChIKey of 5-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-1-yl-1,2,4-triazine-6-carboxamide;1-prop-1-en-2-ylpiperidine-4-carboxamide?

The InChIKey is FSKMOMDIFCHYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3.C9H16N2O/c21-17(28)16-18(23-20(25-24-16)27-8-2-1-3-9-27)22-15-6-4-14(5-7-15)19(29)26-10-12-30-13-11-26;1-7(2)11-5-3-8(4-6-11)9(10)12/h4-7H,1-3,8-13H2,(H2,21,28)(H,22,23,25);8H,1,3-6H2,2H3,(H2,10,12).

What are the key properties of 5-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-1-yl-1,2,4-triazine-6-carboxamide;1-prop-1-en-2-ylpiperidine-4-carboxamide?

5-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-1-yl-1,2,4-triazine-6-carboxamide;1-prop-1-en-2-ylpiperidine-4-carboxamide has a molecular weight of 579.71 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-1-yl-1,2,4-triazine-6-carboxamide;1-prop-1-en-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 144858006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).