[1-(6-formylquinolin-2-yl)piperidin-4-yl]-methylcarbamic acid

C17H19N3O3 — CID 174209271

IUPAC[1-(6-formylquinolin-2-yl)piperidin-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCN(c2ccc3cc(C=O)ccc3n2)CC1
InChIInChI=1S/C17H19N3O3/c1-19(17(22)23)14-6-8-20(9-7-14)16-5-3-13-10-12(11-21)2-4-15(13)18-16/h2-5,10-11,14H,6-9H2,1H3,(H,22,23)
InChIKeyQELWTXSIDUGIAD-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.63
Rot. Bonds3

About [1-(6-formylquinolin-2-yl)piperidin-4-yl]-methylcarbamic acid

[1-(6-formylquinolin-2-yl)piperidin-4-yl]-methylcarbamic acid (PubChem CID 174209271) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is [1-(6-formylquinolin-2-yl)piperidin-4-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-(6-formylquinolin-2-yl)piperidin-4-yl]-methylcarbamic acid
PubChem CID174209271
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name[1-(6-formylquinolin-2-yl)piperidin-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCN(c2ccc3cc(C=O)ccc3n2)CC1
InChIInChI=1S/C17H19N3O3/c1-19(17(22)23)14-6-8-20(9-7-14)16-5-3-13-10-12(11-21)2-4-15(13)18-16/h2-5,10-11,14H,6-9H2,1H3,(H,22,23)
InChIKeyQELWTXSIDUGIAD-UHFFFAOYSA-N
XLogP2.63
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(6-formylquinolin-2-yl)piperidin-4-yl]-methylcarbamic acid?
The IUPAC name of [1-(6-formylquinolin-2-yl)piperidin-4-yl]-methylcarbamic acid (CID 174209271) is [1-(6-formylquinolin-2-yl)piperidin-4-yl]-methylcarbamic acid.
What is the SMILES notation for [1-(6-formylquinolin-2-yl)piperidin-4-yl]-methylcarbamic acid?
The canonical SMILES for [1-(6-formylquinolin-2-yl)piperidin-4-yl]-methylcarbamic acid is CN(C(=O)O)C1CCN(c2ccc3cc(C=O)ccc3n2)CC1.
What is the InChIKey of [1-(6-formylquinolin-2-yl)piperidin-4-yl]-methylcarbamic acid?
The InChIKey is QELWTXSIDUGIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-19(17(22)23)14-6-8-20(9-7-14)16-5-3-13-10-12(11-21)2-4-15(13)18-16/h2-5,10-11,14H,6-9H2,1H3,(H,22,23).
What are the key properties of [1-(6-formylquinolin-2-yl)piperidin-4-yl]-methylcarbamic acid?
[1-(6-formylquinolin-2-yl)piperidin-4-yl]-methylcarbamic acid has a molecular weight of 313.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-formylquinolin-2-yl)piperidin-4-yl]-methylcarbamic acid is sourced from PubChem (CID 174209271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).