methyl 3-[[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate

C14H25N3O4 — CID 60965870

IUPACmethyl 3-[[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H25N3O4/c1-10(14(20)21-3)7-16(2)9-12(18)17-6-4-5-11(8-17)13(15)19/h10-11H,4-9H2,1-3H3,(H2,15,19)
InChIKeyJFXDRWLLSZSGTN-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.55
Rot. Bonds6

About methyl 3-[[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate

methyl 3-[[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate (PubChem CID 60965870) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl 3-[[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate
PubChem CID60965870
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Namemethyl 3-[[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H25N3O4/c1-10(14(20)21-3)7-16(2)9-12(18)17-6-4-5-11(8-17)13(15)19/h10-11H,4-9H2,1-3H3,(H2,15,19)
InChIKeyJFXDRWLLSZSGTN-UHFFFAOYSA-N
XLogP-0.55
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 60964706
methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate
CID 134069304
methyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60964543
1-[2-(2-methoxyethylamino)acetyl]piperidine-3-carboxamide
CID 78913900
methyl 2-methyl-3-[methyl-(3-methylpiperidine-1-carbonyl)amino]propanoate
CID 79162858
(3S)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide
CID 8793721
(3S)-1-[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide
CID 8815954
1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62332976
2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63066843
methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
CID 60698117
(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
CID 9115268
methyl 1-[2-[acetyl(methyl)amino]acetyl]piperidine-3-carboxylate
CID 78919197

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate (CID 60965870) is methyl 3-[[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)CC(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of methyl 3-[[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate?
The InChIKey is JFXDRWLLSZSGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-10(14(20)21-3)7-16(2)9-12(18)17-6-4-5-11(8-17)13(15)19/h10-11H,4-9H2,1-3H3,(H2,15,19).
What are the key properties of methyl 3-[[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate?
methyl 3-[[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate has a molecular weight of 299.37 g/mol, XLogP of -0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 60965870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).