4-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C13H25N3O2 — CID 3239385

IUPAC4-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCCC(C)NC(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C13H25N3O2/c1-5-10(2)14-12(17)11-6-8-16(9-7-11)13(18)15(3)4/h10-11H,5-9H2,1-4H3,(H,14,17)
InChIKeyPWNPGGCVICRLTO-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.29
Rot. Bonds3

About 4-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 3239385) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID3239385
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name4-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCCC(C)NC(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C13H25N3O2/c1-5-10(2)14-12(17)11-6-8-16(9-7-11)13(18)15(3)4/h10-11H,5-9H2,1-4H3,(H,14,17)
InChIKeyPWNPGGCVICRLTO-UHFFFAOYSA-N
XLogP1.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 3239385) is 4-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CCC(C)NC(=O)C1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 4-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is PWNPGGCVICRLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-10(2)14-12(17)11-6-8-16(9-7-11)13(18)15(3)4/h10-11H,5-9H2,1-4H3,(H,14,17).
What are the key properties of 4-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 3239385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).