N-[2-(morpholine-4-carbonyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide

C28H32N4O5 — CID 17118806

IUPACN-[2-(morpholine-4-carbonyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCN(C(=O)C2CC(=O)N(c3ccccc3)C2)CC1
InChIInChI=1S/C28H32N4O5/c33-25-18-21(19-32(25)22-6-2-1-3-7-22)27(35)30-12-10-20(11-13-30)26(34)29-24-9-5-4-8-23(24)28(36)31-14-16-37-17-15-31/h1-9,20-21H,10-19H2,(H,29,34)
InChIKeyBXMJPOYKUSQIMS-UHFFFAOYSA-N
MW504.59 g/mol
LogP2.39
Rot. Bonds5

About N-[2-(morpholine-4-carbonyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide

N-[2-(morpholine-4-carbonyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 17118806) has the molecular formula C28H32N4O5 and a molecular weight of 504.59 g/mol. Its IUPAC name is N-[2-(morpholine-4-carbonyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(morpholine-4-carbonyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
PubChem CID17118806
Molecular FormulaC28H32N4O5
Molecular Weight504.59 g/mol
Exact Mass504.24
IUPAC NameN-[2-(morpholine-4-carbonyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCN(C(=O)C2CC(=O)N(c3ccccc3)C2)CC1
InChIInChI=1S/C28H32N4O5/c33-25-18-21(19-32(25)22-6-2-1-3-7-22)27(35)30-12-10-20(11-13-30)26(34)29-24-9-5-4-8-23(24)28(36)31-14-16-37-17-15-31/h1-9,20-21H,10-19H2,(H,29,34)
InChIKeyBXMJPOYKUSQIMS-UHFFFAOYSA-N
XLogP2.39
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-methylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 7356940
1-(3,5-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17120978
N-(2-methoxyphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118625
1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2959439
N-(2-butan-2-ylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118726
N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118818
N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153816
N-(4-bromo-2-methylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118645
N-(1,3-benzodioxol-5-yl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118777
N-(3,5-difluorophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118809
N-(2-methyl-3-nitrophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118693
1-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 42568689

Frequently Asked Questions

What is the IUPAC name of N-[2-(morpholine-4-carbonyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(morpholine-4-carbonyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide (CID 17118806) is N-[2-(morpholine-4-carbonyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(morpholine-4-carbonyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(morpholine-4-carbonyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCN(C(=O)C2CC(=O)N(c3ccccc3)C2)CC1.
What is the InChIKey of N-[2-(morpholine-4-carbonyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is BXMJPOYKUSQIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5/c33-25-18-21(19-32(25)22-6-2-1-3-7-22)27(35)30-12-10-20(11-13-30)26(34)29-24-9-5-4-8-23(24)28(36)31-14-16-37-17-15-31/h1-9,20-21H,10-19H2,(H,29,34).
What are the key properties of N-[2-(morpholine-4-carbonyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide?
N-[2-(morpholine-4-carbonyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(morpholine-4-carbonyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 17118806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).