methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate

C13H23N3O4 — CID 60778061

IUPACmethyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C13H23N3O4/c1-15(2)13(19)16-8-5-10(6-9-16)12(18)14-7-4-11(17)20-3/h10H,4-9H2,1-3H3,(H,14,18)
InChIKeyPHBPHRCCMWJIMA-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.06
Rot. Bonds4

About methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate

methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate (PubChem CID 60778061) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate
PubChem CID60778061
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Namemethyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C13H23N3O4/c1-15(2)13(19)16-8-5-10(6-9-16)12(18)14-7-4-11(17)20-3/h10H,4-9H2,1-3H3,(H,14,18)
InChIKeyPHBPHRCCMWJIMA-UHFFFAOYSA-N
XLogP0.06
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate
CID 43623309
4-N-(2-methoxyethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 3543766
4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 113466075
methyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate
CID 43404532
1-N,1-N-dimethyl-4-N-[2-(methylamino)propyl]piperidine-1,4-dicarboxamide
CID 120828598
4-N-[2-(3,5-difluorophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 60610429
methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate
CID 61383495
4-N-[2-(4-aminophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119548200
4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 43501083
methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
CID 83224585
4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 60779224
4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 107845526

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate (CID 60778061) is methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate is COC(=O)CCNC(=O)C1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate?
The InChIKey is PHBPHRCCMWJIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-15(2)13(19)16-8-5-10(6-9-16)12(18)14-7-4-11(17)20-3/h10H,4-9H2,1-3H3,(H,14,18).
What are the key properties of methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate?
methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate has a molecular weight of 285.34 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate is sourced from PubChem (CID 60778061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).