methyl-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]carbamic acid

C19H25N5O4 — CID 137364365

About methyl-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]carbamic acid

methyl-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]carbamic acid (PubChem CID 137364365) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is methyl-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]carbamic acid.

Molecular Properties

• Compound Name: methyl-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]carbamic acid
• PubChem CID: 137364365
• Molecular Formula: C19H25N5O4
• Molecular Weight: 387.44 g/mol
• Exact Mass: 387.19
• IUPAC Name: methyl-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]carbamic acid
• SMILES: CN(CCC(=O)N1CCC[C@@H](COc2ccc(-c3ccn[nH]3)nc2)C1)C(=O)O
• InChI: InChI=1S/C19H25N5O4/c1-23(19(26)27)10-7-18(25)24-9-2-3-14(12-24)13-28-15-4-5-16(20-11-15)17-6-8-21-22-17/h4-6,8,11,14H,2-3,7,9-10,12-13H2,1H3,(H,21,22)(H,26,27)/t14-/m1/s1
• InChIKey: PQPCJHVNELQPND-CQSZACIVSA-N
• XLogP: 2.09
• TPSA: 111.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.44
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]carbamic acid?

The IUPAC name of methyl-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]carbamic acid (CID 137364365) is methyl-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]carbamic acid.

What is the SMILES notation for methyl-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]carbamic acid?

The canonical SMILES for methyl-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]carbamic acid is CN(CCC(=O)N1CCC[C@@H](COc2ccc(-c3ccn[nH]3)nc2)C1)C(=O)O.

What is the InChIKey of methyl-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]carbamic acid?

The InChIKey is PQPCJHVNELQPND-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-23(19(26)27)10-7-18(25)24-9-2-3-14(12-24)13-28-15-4-5-16(20-11-15)17-6-8-21-22-17/h4-6,8,11,14H,2-3,7,9-10,12-13H2,1H3,(H,21,22)(H,26,27)/t14-/m1/s1.

What are the key properties of methyl-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]carbamic acid?

methyl-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]carbamic acid has a molecular weight of 387.44 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]carbamic acid is sourced from PubChem (CID 137364365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).