N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide

C13H26N2O — CID 54290996

IUPACN-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-11(16)14(5)12-6-8-15(9-7-12)10-13(2,3)4/h12H,6-10H2,1-5H3
InChIKeyRVRDLHCHCYXSQV-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.98
Rot. Bonds2

About N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide

N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide (PubChem CID 54290996) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide
PubChem CID54290996
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-11(16)14(5)12-6-8-15(9-7-12)10-13(2,3)4/h12H,6-10H2,1-5H3
InChIKeyRVRDLHCHCYXSQV-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide;methoxymethane
CID 54290995
N-(1-butylpiperidin-4-yl)-N-methylacetamide
CID 70802066
ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide
CID 155739583
tert-butyl (2R)-3-[4-[acetyl(methyl)amino]piperidin-1-yl]-2-methylpropanoate
CID 124843336
ethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide
CID 163266627
N-[1-(cyclohexylmethyl)piperidin-4-yl]-N-methylacetamide
CID 174748240
N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide
CID 178115715
N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-N-methylacetamide
CID 60605726
N-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide
CID 111106124
4-[acetyl(methyl)amino]piperidine-1-carboxylic acid
CID 68806542
1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine
CID 159988708
N-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-N-methylacetamide
CID 155765572

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide (CID 54290996) is N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(CC(C)(C)C)CC1.
What is the InChIKey of N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide?
The InChIKey is RVRDLHCHCYXSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(16)14(5)12-6-8-15(9-7-12)10-13(2,3)4/h12H,6-10H2,1-5H3.
What are the key properties of N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide?
N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide has a molecular weight of 226.36 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 54290996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).