1-methyl-N-(4-morpholin-4-ylphenyl)-4-(2-oxo-4-phenylazetidin-1-yl)piperidine-4-carboxamide

C26H32N4O3 — CID 43822181

IUPAC1-methyl-N-(4-morpholin-4-ylphenyl)-4-(2-oxo-4-phenylazetidin-1-yl)piperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)(N2C(=O)CC2c2ccccc2)CC1
InChIInChI=1S/C26H32N4O3/c1-28-13-11-26(12-14-28,30-23(19-24(30)31)20-5-3-2-4-6-20)25(32)27-21-7-9-22(10-8-21)29-15-17-33-18-16-29/h2-10,23H,11-19H2,1H3,(H,27,32)
InChIKeyRVVUWXMRHMPBII-UHFFFAOYSA-N
MW448.57 g/mol
LogP2.90
Rot. Bonds5

About 1-methyl-N-(4-morpholin-4-ylphenyl)-4-(2-oxo-4-phenylazetidin-1-yl)piperidine-4-carboxamide

1-methyl-N-(4-morpholin-4-ylphenyl)-4-(2-oxo-4-phenylazetidin-1-yl)piperidine-4-carboxamide (PubChem CID 43822181) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-methyl-N-(4-morpholin-4-ylphenyl)-4-(2-oxo-4-phenylazetidin-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-morpholin-4-ylphenyl)-4-(2-oxo-4-phenylazetidin-1-yl)piperidine-4-carboxamide
PubChem CID43822181
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name1-methyl-N-(4-morpholin-4-ylphenyl)-4-(2-oxo-4-phenylazetidin-1-yl)piperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)(N2C(=O)CC2c2ccccc2)CC1
InChIInChI=1S/C26H32N4O3/c1-28-13-11-26(12-14-28,30-23(19-24(30)31)20-5-3-2-4-6-20)25(32)27-21-7-9-22(10-8-21)29-15-17-33-18-16-29/h2-10,23H,11-19H2,1H3,(H,27,32)
InChIKeyRVVUWXMRHMPBII-UHFFFAOYSA-N
XLogP2.90
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide
CID 1495338
2-[2-[[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamoyl]phenyl]benzoic acid
CID 24984100
2-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydrochromene-2-carboxamide
CID 143452474
N-(4-acetylphenyl)-3-phenylmorpholine-4-carboxamide
CID 84525724
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
1-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-morpholin-4-ylphenyl)hydrazine
CID 123306233
(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
CID 2079704
3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide
CID 731852
(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 92918138
(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592839
(3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2506973

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-morpholin-4-ylphenyl)-4-(2-oxo-4-phenylazetidin-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-(4-morpholin-4-ylphenyl)-4-(2-oxo-4-phenylazetidin-1-yl)piperidine-4-carboxamide (CID 43822181) is 1-methyl-N-(4-morpholin-4-ylphenyl)-4-(2-oxo-4-phenylazetidin-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-morpholin-4-ylphenyl)-4-(2-oxo-4-phenylazetidin-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(4-morpholin-4-ylphenyl)-4-(2-oxo-4-phenylazetidin-1-yl)piperidine-4-carboxamide is CN1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)(N2C(=O)CC2c2ccccc2)CC1.
What is the InChIKey of 1-methyl-N-(4-morpholin-4-ylphenyl)-4-(2-oxo-4-phenylazetidin-1-yl)piperidine-4-carboxamide?
The InChIKey is RVVUWXMRHMPBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-28-13-11-26(12-14-28,30-23(19-24(30)31)20-5-3-2-4-6-20)25(32)27-21-7-9-22(10-8-21)29-15-17-33-18-16-29/h2-10,23H,11-19H2,1H3,(H,27,32).
What are the key properties of 1-methyl-N-(4-morpholin-4-ylphenyl)-4-(2-oxo-4-phenylazetidin-1-yl)piperidine-4-carboxamide?
1-methyl-N-(4-morpholin-4-ylphenyl)-4-(2-oxo-4-phenylazetidin-1-yl)piperidine-4-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-morpholin-4-ylphenyl)-4-(2-oxo-4-phenylazetidin-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 43822181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).