2-[(6-oxo-3-phenylpiperidine-3-carbonyl)amino]quinoline-4-carboxamide

C22H20N4O3 — CID 154850128

IUPAC2-[(6-oxo-3-phenylpiperidine-3-carbonyl)amino]quinoline-4-carboxamide
SMILESNC(=O)c1cc(NC(=O)C2(c3ccccc3)CCC(=O)NC2)nc2ccccc12
InChIInChI=1S/C22H20N4O3/c23-20(28)16-12-18(25-17-9-5-4-8-15(16)17)26-21(29)22(11-10-19(27)24-13-22)14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H2,23,28)(H,24,27)(H,25,26,29)
InChIKeyNBLLHDCKNGOSQP-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.12
Rot. Bonds4

About 2-[(6-oxo-3-phenylpiperidine-3-carbonyl)amino]quinoline-4-carboxamide

2-[(6-oxo-3-phenylpiperidine-3-carbonyl)amino]quinoline-4-carboxamide (PubChem CID 154850128) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[(6-oxo-3-phenylpiperidine-3-carbonyl)amino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(6-oxo-3-phenylpiperidine-3-carbonyl)amino]quinoline-4-carboxamide
PubChem CID154850128
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name2-[(6-oxo-3-phenylpiperidine-3-carbonyl)amino]quinoline-4-carboxamide
SMILESNC(=O)c1cc(NC(=O)C2(c3ccccc3)CCC(=O)NC2)nc2ccccc12
InChIInChI=1S/C22H20N4O3/c23-20(28)16-12-18(25-17-9-5-4-8-15(16)17)26-21(29)22(11-10-19(27)24-13-22)14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H2,23,28)(H,24,27)(H,25,26,29)
InChIKeyNBLLHDCKNGOSQP-UHFFFAOYSA-N
XLogP2.12
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-3-phenylpiperidine-3-carbonyl)amino]quinoline-4-carboxamide?
The IUPAC name of 2-[(6-oxo-3-phenylpiperidine-3-carbonyl)amino]quinoline-4-carboxamide (CID 154850128) is 2-[(6-oxo-3-phenylpiperidine-3-carbonyl)amino]quinoline-4-carboxamide.
What is the SMILES notation for 2-[(6-oxo-3-phenylpiperidine-3-carbonyl)amino]quinoline-4-carboxamide?
The canonical SMILES for 2-[(6-oxo-3-phenylpiperidine-3-carbonyl)amino]quinoline-4-carboxamide is NC(=O)c1cc(NC(=O)C2(c3ccccc3)CCC(=O)NC2)nc2ccccc12.
What is the InChIKey of 2-[(6-oxo-3-phenylpiperidine-3-carbonyl)amino]quinoline-4-carboxamide?
The InChIKey is NBLLHDCKNGOSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c23-20(28)16-12-18(25-17-9-5-4-8-15(16)17)26-21(29)22(11-10-19(27)24-13-22)14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H2,23,28)(H,24,27)(H,25,26,29).
What are the key properties of 2-[(6-oxo-3-phenylpiperidine-3-carbonyl)amino]quinoline-4-carboxamide?
2-[(6-oxo-3-phenylpiperidine-3-carbonyl)amino]quinoline-4-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-3-phenylpiperidine-3-carbonyl)amino]quinoline-4-carboxamide is sourced from PubChem (CID 154850128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).