N-butan-2-yl-N,2-dimethylpiperidine-2-carboxamide

C12H24N2O — CID 104596127

IUPACN-butan-2-yl-N,2-dimethylpiperidine-2-carboxamide
SMILESCCC(C)N(C)C(=O)C1(C)CCCCN1
InChIInChI=1S/C12H24N2O/c1-5-10(2)14(4)11(15)12(3)8-6-7-9-13-12/h10,13H,5-9H2,1-4H3
InChIKeyVUGHJRLABQIBFF-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.78
Rot. Bonds3

About N-butan-2-yl-N,2-dimethylpiperidine-2-carboxamide

N-butan-2-yl-N,2-dimethylpiperidine-2-carboxamide (PubChem CID 104596127) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-butan-2-yl-N,2-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N,2-dimethylpiperidine-2-carboxamide
PubChem CID104596127
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-butan-2-yl-N,2-dimethylpiperidine-2-carboxamide
SMILESCCC(C)N(C)C(=O)C1(C)CCCCN1
InChIInChI=1S/C12H24N2O/c1-5-10(2)14(4)11(15)12(3)8-6-7-9-13-12/h10,13H,5-9H2,1-4H3
InChIKeyVUGHJRLABQIBFF-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide
CID 115976508
N-ethyl-2-methyl-N-(2-methylbutyl)piperidine-2-carboxamide
CID 113368651
N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpiperidine-2-carboxamide
CID 104596688
N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpiperidine-2-carboxamide
CID 104596433
N,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide
CID 104597142
2-[ethyl-(2-methylpiperidine-2-carbonyl)amino]acetic acid
CID 104596700
N-cycloheptyl-N,2-dimethylpiperidine-2-carboxamide
CID 104596167
N-(2,2-difluoroethyl)-N,2-dimethylpyrrolidine-2-carboxamide
CID 115747592
N-(5-hydroxypentyl)-N,2-dimethylpiperidine-2-carboxamide
CID 107199154
N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylpiperidine-2-carboxamide
CID 104596944
1-(2-methylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 116614195
N',N',2-trimethylpiperidine-2-carbohydrazide
CID 104597181

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N,2-dimethylpiperidine-2-carboxamide?
The IUPAC name of N-butan-2-yl-N,2-dimethylpiperidine-2-carboxamide (CID 104596127) is N-butan-2-yl-N,2-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-N,2-dimethylpiperidine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-N,2-dimethylpiperidine-2-carboxamide is CCC(C)N(C)C(=O)C1(C)CCCCN1.
What is the InChIKey of N-butan-2-yl-N,2-dimethylpiperidine-2-carboxamide?
The InChIKey is VUGHJRLABQIBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-10(2)14(4)11(15)12(3)8-6-7-9-13-12/h10,13H,5-9H2,1-4H3.
What are the key properties of N-butan-2-yl-N,2-dimethylpiperidine-2-carboxamide?
N-butan-2-yl-N,2-dimethylpiperidine-2-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N,2-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 104596127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).