1-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1-methyl-3-pyridin-3-ylurea

C19H28N6O — CID 128965192

About 1-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1-methyl-3-pyridin-3-ylurea

1-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1-methyl-3-pyridin-3-ylurea (PubChem CID 128965192) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1-methyl-3-pyridin-3-ylurea.

Molecular Properties

• Compound Name: 1-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1-methyl-3-pyridin-3-ylurea
• PubChem CID: 128965192
• Molecular Formula: C19H28N6O
• Molecular Weight: 356.47 g/mol
• Exact Mass: 356.23
• IUPAC Name: 1-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1-methyl-3-pyridin-3-ylurea
• SMILES: CCN1CCC[C@@H](CN(C)C(=O)Nc2cccnc2)C1c1cnn(C)c1
• InChI: InChI=1S/C19H28N6O/c1-4-25-10-6-7-15(18(25)16-11-21-24(3)14-16)13-23(2)19(26)22-17-8-5-9-20-12-17/h5,8-9,11-12,14-15,18H,4,6-7,10,13H2,1-3H3,(H,22,26)/t15-,18?/m0/s1
• InChIKey: INQIDPTVQXAUDQ-BUSXIPJBSA-N
• XLogP: 2.75
• TPSA: 66.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.47
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1-methyl-3-pyridin-3-ylurea?

The IUPAC name of 1-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1-methyl-3-pyridin-3-ylurea (CID 128965192) is 1-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1-methyl-3-pyridin-3-ylurea.

What is the SMILES notation for 1-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1-methyl-3-pyridin-3-ylurea?

The canonical SMILES for 1-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1-methyl-3-pyridin-3-ylurea is CCN1CCC[C@@H](CN(C)C(=O)Nc2cccnc2)C1c1cnn(C)c1.

What is the InChIKey of 1-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1-methyl-3-pyridin-3-ylurea?

The InChIKey is INQIDPTVQXAUDQ-BUSXIPJBSA-N. The full InChI is InChI=1S/C19H28N6O/c1-4-25-10-6-7-15(18(25)16-11-21-24(3)14-16)13-23(2)19(26)22-17-8-5-9-20-12-17/h5,8-9,11-12,14-15,18H,4,6-7,10,13H2,1-3H3,(H,22,26)/t15-,18?/m0/s1.

What are the key properties of 1-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1-methyl-3-pyridin-3-ylurea?

1-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1-methyl-3-pyridin-3-ylurea has a molecular weight of 356.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1-methyl-3-pyridin-3-ylurea is sourced from PubChem (CID 128965192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).