4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C13H23N3O2 — CID 113466075

IUPAC4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESC=CCCNC(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C13H23N3O2/c1-4-5-8-14-12(17)11-6-9-16(10-7-11)13(18)15(2)3/h4,11H,1,5-10H2,2-3H3,(H,14,17)
InChIKeyMJPKKUXFXJPWLV-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.07
Rot. Bonds4

About 4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 113466075) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID113466075
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESC=CCCNC(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C13H23N3O2/c1-4-5-8-14-12(17)11-6-9-16(10-7-11)13(18)15(2)3/h4,11H,1,5-10H2,2-3H3,(H,14,17)
InChIKeyMJPKKUXFXJPWLV-UHFFFAOYSA-N
XLogP1.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-methoxyethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 3543766
methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate
CID 60778061
methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate
CID 43623309
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
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
1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide
CID 115628009
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
4-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 114750902
1-N,1-N-dimethyl-4-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1,4-dicarboxamide
CID 55761983

Frequently Asked Questions

What is the IUPAC name of 4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 113466075) is 4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is C=CCCNC(=O)C1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is MJPKKUXFXJPWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-5-8-14-12(17)11-6-9-16(10-7-11)13(18)15(2)3/h4,11H,1,5-10H2,2-3H3,(H,14,17).
What are the key properties of 4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 113466075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).