[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-quinolin-3-ylmethanone

C20H25N3O2 — CID 70785364

IUPAC[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-quinolin-3-ylmethanone
SMILESO=C(c1cnc2ccccc2c1)N1CCCC(O)(CN2CCCC2)C1
InChIInChI=1S/C20H25N3O2/c24-19(17-12-16-6-1-2-7-18(16)21-13-17)23-11-5-8-20(25,15-23)14-22-9-3-4-10-22/h1-2,6-7,12-13,25H,3-5,8-11,14-15H2
InChIKeyFZHSLRLYIRKMRB-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.30
Rot. Bonds3

About [3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-quinolin-3-ylmethanone

[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-quinolin-3-ylmethanone (PubChem CID 70785364) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-quinolin-3-ylmethanone.

Molecular Properties

Compound Name[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-quinolin-3-ylmethanone
PubChem CID70785364
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-quinolin-3-ylmethanone
SMILESO=C(c1cnc2ccccc2c1)N1CCCC(O)(CN2CCCC2)C1
InChIInChI=1S/C20H25N3O2/c24-19(17-12-16-6-1-2-7-18(16)21-13-17)23-11-5-8-20(25,15-23)14-22-9-3-4-10-22/h1-2,6-7,12-13,25H,3-5,8-11,14-15H2
InChIKeyFZHSLRLYIRKMRB-UHFFFAOYSA-N
XLogP2.30
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-quinolin-3-ylmethanone?
The IUPAC name of [3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-quinolin-3-ylmethanone (CID 70785364) is [3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-quinolin-3-ylmethanone.
What is the SMILES notation for [3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-quinolin-3-ylmethanone?
The canonical SMILES for [3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-quinolin-3-ylmethanone is O=C(c1cnc2ccccc2c1)N1CCCC(O)(CN2CCCC2)C1.
What is the InChIKey of [3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-quinolin-3-ylmethanone?
The InChIKey is FZHSLRLYIRKMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-19(17-12-16-6-1-2-7-18(16)21-13-17)23-11-5-8-20(25,15-23)14-22-9-3-4-10-22/h1-2,6-7,12-13,25H,3-5,8-11,14-15H2.
What are the key properties of [3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-quinolin-3-ylmethanone?
[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-quinolin-3-ylmethanone has a molecular weight of 339.44 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-quinolin-3-ylmethanone is sourced from PubChem (CID 70785364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).