2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide

C15H27N3O3 — CID 108504537

IUPAC2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
SMILESCC1CCN(C(=O)C(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-13-3-7-18(8-4-13)15(20)14(19)16-5-2-6-17-9-11-21-12-10-17/h13H,2-12H2,1H3,(H,16,19)
InChIKeyLVRGGQKYIXUXNO-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.08
Rot. Bonds4

About 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide

2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide (PubChem CID 108504537) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
PubChem CID108504537
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
SMILESCC1CCN(C(=O)C(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-13-3-7-18(8-4-13)15(20)14(19)16-5-2-6-17-9-11-21-12-10-17/h13H,2-12H2,1H3,(H,16,19)
InChIKeyLVRGGQKYIXUXNO-UHFFFAOYSA-N
XLogP0.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]piperidine-4-carboxylate
CID 108504184
2-(2,6-dimethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108518454
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
(Z)-2-(4-methylpiperidine-1-carbonyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enenitrile
CID 108831824
N-(5-hydroxypentyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504582
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108514068
1-(3-morpholin-4-ylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 43348298
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310
2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide
CID 123810381
2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 108993688

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide (CID 108504537) is 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide is CC1CCN(C(=O)C(=O)NCCCN2CCOCC2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide?
The InChIKey is LVRGGQKYIXUXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-13-3-7-18(8-4-13)15(20)14(19)16-5-2-6-17-9-11-21-12-10-17/h13H,2-12H2,1H3,(H,16,19).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide?
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide has a molecular weight of 297.40 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide is sourced from PubChem (CID 108504537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).