1-[(6-methoxy-3-pyridinyl)methyl]-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea

C19H26N4O2S — CID 52511041

About 1-[(6-methoxy-3-pyridinyl)methyl]-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea

1-[(6-methoxy-3-pyridinyl)methyl]-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea (PubChem CID 52511041) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-[(6-methoxy-3-pyridinyl)methyl]-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea.

Molecular Properties

• Compound Name: 1-[(6-methoxy-3-pyridinyl)methyl]-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
• PubChem CID: 52511041
• Molecular Formula: C19H26N4O2S
• Molecular Weight: 374.51 g/mol
• Exact Mass: 374.18
• IUPAC Name: 1-[(6-methoxy-3-pyridinyl)methyl]-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
• SMILES: COc1ccc(CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cn1
• InChI: InChI=1S/C19H26N4O2S/c1-25-18-7-6-15(10-20-18)11-21-19(24)22-12-16-4-2-8-23(13-16)14-17-5-3-9-26-17/h3,5-7,9-10,16H,2,4,8,11-14H2,1H3,(H2,21,22,24)/t16-/m1/s1
• InChIKey: CAQSSERTFGKURV-MRXNPFEDSA-N
• XLogP: 2.86
• TPSA: 66.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.51
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea?

The IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea (CID 52511041) is 1-[(6-methoxy-3-pyridinyl)methyl]-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea.

What is the SMILES notation for 1-[(6-methoxy-3-pyridinyl)methyl]-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea?

The canonical SMILES for 1-[(6-methoxy-3-pyridinyl)methyl]-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea is COc1ccc(CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cn1.

What is the InChIKey of 1-[(6-methoxy-3-pyridinyl)methyl]-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea?

The InChIKey is CAQSSERTFGKURV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-25-18-7-6-15(10-20-18)11-21-19(24)22-12-16-4-2-8-23(13-16)14-17-5-3-9-26-17/h3,5-7,9-10,16H,2,4,8,11-14H2,1H3,(H2,21,22,24)/t16-/m1/s1.

What are the key properties of 1-[(6-methoxy-3-pyridinyl)methyl]-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea?

1-[(6-methoxy-3-pyridinyl)methyl]-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea has a molecular weight of 374.51 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-methoxy-3-pyridinyl)methyl]-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea is sourced from PubChem (CID 52511041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).