N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C24H35N5O4 — CID 55720056

IUPACN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C24H35N5O4/c1-26(23(31)19-8-12-29(13-9-19)24(32)28-10-2-3-11-28)18-22(30)25-20-4-6-21(7-5-20)27-14-16-33-17-15-27/h4-7,19H,2-3,8-18H2,1H3,(H,25,30)
InChIKeyWYEDMKCDUXYEHW-UHFFFAOYSA-N
MW457.58 g/mol
LogP1.85
Rot. Bonds5

About N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55720056) has the molecular formula C24H35N5O4 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
PubChem CID55720056
Molecular FormulaC24H35N5O4
Molecular Weight457.58 g/mol
Exact Mass457.27
IUPAC NameN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C24H35N5O4/c1-26(23(31)19-8-12-29(13-9-19)24(32)28-10-2-3-11-28)18-22(30)25-20-4-6-21(7-5-20)27-14-16-33-17-15-27/h4-7,19H,2-3,8-18H2,1H3,(H,25,30)
InChIKeyWYEDMKCDUXYEHW-UHFFFAOYSA-N
XLogP1.85
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 9409375
1-(cyclopropanecarbonyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55630959
1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 55359005
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 8960463
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55755137
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719168
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 55610278
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 9409582
2-[methyl-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8681927
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 55720056) is N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is WYEDMKCDUXYEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O4/c1-26(23(31)19-8-12-29(13-9-19)24(32)28-10-2-3-11-28)18-22(30)25-20-4-6-21(7-5-20)27-14-16-33-17-15-27/h4-7,19H,2-3,8-18H2,1H3,(H,25,30).
What are the key properties of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55720056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).