2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide

C21H31N3O3 — CID 108966794

IUPAC2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide
SMILESCC1CCCN(C(=O)C(C)(C)C(=O)Nc2ccccc2N2CCOCC2)C1
InChIInChI=1S/C21H31N3O3/c1-16-7-6-10-24(15-16)20(26)21(2,3)19(25)22-17-8-4-5-9-18(17)23-11-13-27-14-12-23/h4-5,8-9,16H,6-7,10-15H2,1-3H3,(H,22,25)
InChIKeyNAGGFAPCNGGRKD-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.75
Rot. Bonds4

About 2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide

2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide (PubChem CID 108966794) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide
PubChem CID108966794
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide
SMILESCC1CCCN(C(=O)C(C)(C)C(=O)Nc2ccccc2N2CCOCC2)C1
InChIInChI=1S/C21H31N3O3/c1-16-7-6-10-24(15-16)20(26)21(2,3)19(25)22-17-8-4-5-9-18(17)23-11-13-27-14-12-23/h4-5,8-9,16H,6-7,10-15H2,1-3H3,(H,22,25)
InChIKeyNAGGFAPCNGGRKD-UHFFFAOYSA-N
XLogP2.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966766
2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960131
2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(3-methylpiperidin-1-yl)propane-1,3-dione
CID 108966814
N-(2,4-dichlorophenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966816
methyl 2-[(2,2-dimethyl-3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate
CID 108959939
N-ethyl-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)-N-phenylpropanediamide
CID 108968361
N-(4-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108969937
4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 113190000
N-(2-morpholin-4-ylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344153
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966789
2,2,3,3-tetrafluoro-N-(2-morpholin-4-ylphenyl)propanamide
CID 103731890
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966813

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide?
The IUPAC name of 2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide (CID 108966794) is 2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide.
What is the SMILES notation for 2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide?
The canonical SMILES for 2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide is CC1CCCN(C(=O)C(C)(C)C(=O)Nc2ccccc2N2CCOCC2)C1.
What is the InChIKey of 2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide?
The InChIKey is NAGGFAPCNGGRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-16-7-6-10-24(15-16)20(26)21(2,3)19(25)22-17-8-4-5-9-18(17)23-11-13-27-14-12-23/h4-5,8-9,16H,6-7,10-15H2,1-3H3,(H,22,25).
What are the key properties of 2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide?
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide has a molecular weight of 373.50 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide is sourced from PubChem (CID 108966794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).