methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate

C14H25N3O4 — CID 61383495

IUPACmethyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C14H25N3O4/c1-5-16(10-12(18)21-4)13(19)11-6-8-17(9-7-11)14(20)15(2)3/h11H,5-10H2,1-4H3
InChIKeyDMYOIDJKOFKESP-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.40
Rot. Bonds4

About methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate

methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate (PubChem CID 61383495) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate
PubChem CID61383495
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Namemethyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C14H25N3O4/c1-5-16(10-12(18)21-4)13(19)11-6-8-17(9-7-11)14(20)15(2)3/h11H,5-10H2,1-4H3
InChIKeyDMYOIDJKOFKESP-UHFFFAOYSA-N
XLogP0.40
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]propanoate
CID 61011308
4-N,4-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 61233622
methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate
CID 43623309
methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate
CID 60778061
methyl 2-[azepane-1-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 79152220
2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid
CID 138005412
methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
CID 83224585
N,N-diethyl-1-methoxypiperidine-4-carboxamide
CID 59857748
tert-butyl 4-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate
CID 30764016
4-N-(2-methoxyethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 3543766
ethyl 2-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]acetate
CID 61012248
N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113005259

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate?
The IUPAC name of methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate (CID 61383495) is methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate.
What is the SMILES notation for methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate?
The canonical SMILES for methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate is CCN(CC(=O)OC)C(=O)C1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate?
The InChIKey is DMYOIDJKOFKESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-5-16(10-12(18)21-4)13(19)11-6-8-17(9-7-11)14(20)15(2)3/h11H,5-10H2,1-4H3.
What are the key properties of methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate?
methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate has a molecular weight of 299.37 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate is sourced from PubChem (CID 61383495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).