1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H31N3O3 — CID 113185559

IUPAC1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)C1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C22H31N3O3/c26-21-15-17(16-25(21)18-7-3-1-2-4-8-18)22(27)23-19-9-5-6-10-20(19)24-11-13-28-14-12-24/h5-6,9-10,17-18H,1-4,7-8,11-16H2,(H,23,27)
InChIKeyBLDLWPZDEWKVEU-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.03
Rot. Bonds4

About 1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide

1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113185559) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113185559
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)C1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C22H31N3O3/c26-21-15-17(16-25(21)18-7-3-1-2-4-8-18)22(27)23-19-9-5-6-10-20(19)24-11-13-28-14-12-24/h5-6,9-10,17-18H,1-4,7-8,11-16H2,(H,23,27)
InChIKeyBLDLWPZDEWKVEU-UHFFFAOYSA-N
XLogP3.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2959439
(3R)-1-cyclohexyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822798
(3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40974407
(3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 51630288
N-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182780
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
1-cyclopropyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55374603
1-(2,6-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186273
(3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9461562
methyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 2856288
N-(2-methylsulfanylphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567869
1-cyclopropyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55374635

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113185559) is 1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccccc1N1CCOCC1)C1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BLDLWPZDEWKVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c26-21-15-17(16-25(21)18-7-3-1-2-4-8-18)22(27)23-19-9-5-6-10-20(19)24-11-13-28-14-12-24/h5-6,9-10,17-18H,1-4,7-8,11-16H2,(H,23,27).
What are the key properties of 1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113185559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).