3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

C13H25N3O2 — CID 60756324

IUPAC3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCCC(C)NC(=O)C1CCCN(C(=O)N(C)C)C1
InChIInChI=1S/C13H25N3O2/c1-5-10(2)14-12(17)11-7-6-8-16(9-11)13(18)15(3)4/h10-11H,5-9H2,1-4H3,(H,14,17)
InChIKeyKLJZPWOMBAXVII-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.29
Rot. Bonds3

About 3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (PubChem CID 60756324) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
PubChem CID60756324
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCCC(C)NC(=O)C1CCCN(C(=O)N(C)C)C1
InChIInChI=1S/C13H25N3O2/c1-5-10(2)14-12(17)11-7-6-8-16(9-11)13(18)15(3)4/h10-11H,5-9H2,1-4H3,(H,14,17)
InChIKeyKLJZPWOMBAXVII-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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Related Compounds

2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 43630634
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid
CID 61243104
3-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 103801482
3-(hydrazinecarbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 43348977
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756437
methyl 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate
CID 75372384
3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 60756295
(3R)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94857992
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43427722
(3S)-3-N-[(2R)-butan-2-yl]-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7435345

Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (CID 60756324) is 3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is CCC(C)NC(=O)C1CCCN(C(=O)N(C)C)C1.
What is the InChIKey of 3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The InChIKey is KLJZPWOMBAXVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-10(2)14-12(17)11-7-6-8-16(9-11)13(18)15(3)4/h10-11H,5-9H2,1-4H3,(H,14,17).
What are the key properties of 3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-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 3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 60756324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).