3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide

C13H25N3O2 — CID 115612806

IUPAC3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide
SMILESCCC(CC)CNC(=O)C1CCCN(C(N)=O)C1
InChIInChI=1S/C13H25N3O2/c1-3-10(4-2)8-15-12(17)11-6-5-7-16(9-11)13(14)18/h10-11H,3-9H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyGIPINZYCOBFTIC-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.33
Rot. Bonds5

About 3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide

3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide (PubChem CID 115612806) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide
PubChem CID115612806
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide
SMILESCCC(CC)CNC(=O)C1CCCN(C(N)=O)C1
InChIInChI=1S/C13H25N3O2/c1-3-10(4-2)8-15-12(17)11-6-5-7-16(9-11)13(14)18/h10-11H,3-9H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyGIPINZYCOBFTIC-UHFFFAOYSA-N
XLogP1.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[(2S)-2-hydroxypropyl]piperidine-1,3-dicarboxamide
CID 83059648
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79792508
ethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate
CID 124590693
ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate
CID 61344950
(3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide
CID 94023540
methyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate
CID 103958143
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
3-N-(3-methylcyclopentyl)piperidine-1,3-dicarboxamide
CID 114550176
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
N-(3-amino-2-methylpropyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide;hydrochloride
CID 119995887
1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide
CID 103195301

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide (CID 115612806) is 3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide is CCC(CC)CNC(=O)C1CCCN(C(N)=O)C1.
What is the InChIKey of 3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide?
The InChIKey is GIPINZYCOBFTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-10(4-2)8-15-12(17)11-6-5-7-16(9-11)13(14)18/h10-11H,3-9H2,1-2H3,(H2,14,18)(H,15,17).
What are the key properties of 3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide?
3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 115612806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).