formic acid;1-[3-[[5-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone

C20H27N7O5 — CID 171329697

About formic acid;1-[3-[[5-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone

formic acid;1-[3-[[5-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 171329697) has the molecular formula C20H27N7O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is formic acid;1-[3-[[5-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

• Compound Name: formic acid;1-[3-[[5-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
• PubChem CID: 171329697
• Molecular Formula: C20H27N7O5
• Molecular Weight: 445.48 g/mol
• Exact Mass: 445.21
• IUPAC Name: formic acid;1-[3-[[5-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
• SMILES: O=C(Cn1cnnn1)N1CCC(Cc2cncc(C(=O)N3CCC(O)CC3)c2)C1.O=CO
• InChI: InChI=1S/C19H25N7O3.CH2O2/c27-17-2-5-24(6-3-17)19(29)16-8-15(9-20-10-16)7-14-1-4-25(11-14)18(28)12-26-13-21-22-23-26;2-1-3/h8-10,13-14,17,27H,1-7,11-12H2;1H,(H,2,3)
• InChIKey: HGVPQSKVEAZOBL-UHFFFAOYSA-N
• XLogP: -0.54
• TPSA: 154.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.48
LogP ≤ 5	-0.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of formic acid;1-[3-[[5-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone?

The IUPAC name of formic acid;1-[3-[[5-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 171329697) is formic acid;1-[3-[[5-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone.

What is the SMILES notation for formic acid;1-[3-[[5-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone?

The canonical SMILES for formic acid;1-[3-[[5-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CCC(Cc2cncc(C(=O)N3CCC(O)CC3)c2)C1.O=CO.

What is the InChIKey of formic acid;1-[3-[[5-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone?

The InChIKey is HGVPQSKVEAZOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O3.CH2O2/c27-17-2-5-24(6-3-17)19(29)16-8-15(9-20-10-16)7-14-1-4-25(11-14)18(28)12-26-13-21-22-23-26;2-1-3/h8-10,13-14,17,27H,1-7,11-12H2;1H,(H,2,3).

What are the key properties of formic acid;1-[3-[[5-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone?

formic acid;1-[3-[[5-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 445.48 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;1-[3-[[5-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 171329697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).