1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide

C20H24N4O2 — CID 55718448

IUPAC1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C20H24N4O2/c25-19(22-17-13-16-5-1-2-6-18(16)21-14-17)15-7-11-24(12-8-15)20(26)23-9-3-4-10-23/h1-2,5-6,13-15H,3-4,7-12H2,(H,22,25)
InChIKeyCCEWFLVCVBSOCU-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.10
Rot. Bonds2

About 1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide

1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide (PubChem CID 55718448) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide
PubChem CID55718448
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C20H24N4O2/c25-19(22-17-13-16-5-1-2-6-18(16)21-14-17)15-7-11-24(12-8-15)20(26)23-9-3-4-10-23/h1-2,5-6,13-15H,3-4,7-12H2,(H,22,25)
InChIKeyCCEWFLVCVBSOCU-UHFFFAOYSA-N
XLogP3.10
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide (CID 55718448) is 1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide is O=C(Nc1cnc2ccccc2c1)C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of 1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide?
The InChIKey is CCEWFLVCVBSOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-19(22-17-13-16-5-1-2-6-18(16)21-14-17)15-7-11-24(12-8-15)20(26)23-9-3-4-10-23/h1-2,5-6,13-15H,3-4,7-12H2,(H,22,25).
What are the key properties of 1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide?
1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55718448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).