(5-benzamido-2-pyridinyl) 4-[3-(5-methyl-2-pyridinyl)propyl]piperazine-1-carboxylate;(5-benzamido-2-pyridinyl) 4-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate

C48H52N10O6S — CID 161132000

About (5-benzamido-2-pyridinyl) 4-[3-(5-methyl-2-pyridinyl)propyl]piperazine-1-carboxylate;(5-benzamido-2-pyridinyl) 4-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate

(5-benzamido-2-pyridinyl) 4-[3-(5-methyl-2-pyridinyl)propyl]piperazine-1-carboxylate;(5-benzamido-2-pyridinyl) 4-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate (PubChem CID 161132000) has the molecular formula C48H52N10O6S and a molecular weight of 897.08 g/mol. Its IUPAC name is (5-benzamido-2-pyridinyl) 4-[3-(5-methyl-2-pyridinyl)propyl]piperazine-1-carboxylate;(5-benzamido-2-pyridinyl) 4-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: (5-benzamido-2-pyridinyl) 4-[3-(5-methyl-2-pyridinyl)propyl]piperazine-1-carboxylate;(5-benzamido-2-pyridinyl) 4-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate
• PubChem CID: 161132000
• Molecular Formula: C48H52N10O6S
• Molecular Weight: 897.08 g/mol
• Exact Mass: 896.38
• IUPAC Name: (5-benzamido-2-pyridinyl) 4-[3-(5-methyl-2-pyridinyl)propyl]piperazine-1-carboxylate;(5-benzamido-2-pyridinyl) 4-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate
• SMILES: Cc1ccc(CCCN2CCN(C(=O)Oc3ccc(NC(=O)c4ccccc4)cn3)CC2)nc1.O=C(Nc1ccc(OC(=O)N2CCN(CCc3nccs3)CC2)nc1)c1ccccc1
• InChI: InChI=1S/C26H29N5O3.C22H23N5O3S/c1-20-9-10-22(27-18-20)8-5-13-30-14-16-31(17-15-30)26(33)34-24-12-11-23(19-28-24)29-25(32)21-6-3-2-4-7-21;28-21(17-4-2-1-3-5-17)25-18-6-7-19(24-16-18)30-22(29)27-13-11-26(12-14-27)10-8-20-23-9-15-31-20/h2-4,6-7,9-12,18-19H,5,8,13-17H2,1H3,(H,29,32);1-7,9,15-16H,8,10-14H2,(H,25,28)
• InChIKey: UMHTZBXDTRTEBY-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 175.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	897.08
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of (5-benzamido-2-pyridinyl) 4-[3-(5-methyl-2-pyridinyl)propyl]piperazine-1-carboxylate;(5-benzamido-2-pyridinyl) 4-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate?

The IUPAC name of (5-benzamido-2-pyridinyl) 4-[3-(5-methyl-2-pyridinyl)propyl]piperazine-1-carboxylate;(5-benzamido-2-pyridinyl) 4-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate (CID 161132000) is (5-benzamido-2-pyridinyl) 4-[3-(5-methyl-2-pyridinyl)propyl]piperazine-1-carboxylate;(5-benzamido-2-pyridinyl) 4-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate.

What is the SMILES notation for (5-benzamido-2-pyridinyl) 4-[3-(5-methyl-2-pyridinyl)propyl]piperazine-1-carboxylate;(5-benzamido-2-pyridinyl) 4-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate?

The canonical SMILES for (5-benzamido-2-pyridinyl) 4-[3-(5-methyl-2-pyridinyl)propyl]piperazine-1-carboxylate;(5-benzamido-2-pyridinyl) 4-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate is Cc1ccc(CCCN2CCN(C(=O)Oc3ccc(NC(=O)c4ccccc4)cn3)CC2)nc1.O=C(Nc1ccc(OC(=O)N2CCN(CCc3nccs3)CC2)nc1)c1ccccc1.

What is the InChIKey of (5-benzamido-2-pyridinyl) 4-[3-(5-methyl-2-pyridinyl)propyl]piperazine-1-carboxylate;(5-benzamido-2-pyridinyl) 4-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate?

The InChIKey is UMHTZBXDTRTEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3.C22H23N5O3S/c1-20-9-10-22(27-18-20)8-5-13-30-14-16-31(17-15-30)26(33)34-24-12-11-23(19-28-24)29-25(32)21-6-3-2-4-7-21;28-21(17-4-2-1-3-5-17)25-18-6-7-19(24-16-18)30-22(29)27-13-11-26(12-14-27)10-8-20-23-9-15-31-20/h2-4,6-7,9-12,18-19H,5,8,13-17H2,1H3,(H,29,32);1-7,9,15-16H,8,10-14H2,(H,25,28).

What are the key properties of (5-benzamido-2-pyridinyl) 4-[3-(5-methyl-2-pyridinyl)propyl]piperazine-1-carboxylate;(5-benzamido-2-pyridinyl) 4-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate?

(5-benzamido-2-pyridinyl) 4-[3-(5-methyl-2-pyridinyl)propyl]piperazine-1-carboxylate;(5-benzamido-2-pyridinyl) 4-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate has a molecular weight of 897.08 g/mol, XLogP of 6.94, 13 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (5-benzamido-2-pyridinyl) 4-[3-(5-methyl-2-pyridinyl)propyl]piperazine-1-carboxylate;(5-benzamido-2-pyridinyl) 4-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 161132000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).