ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide

C14H30N2O — CID 155739583

IUPACethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide
SMILESCC.CC(=O)N(C)C1CCN(CC(C)C)CC1
InChIInChI=1S/C12H24N2O.C2H6/c1-10(2)9-14-7-5-12(6-8-14)13(4)11(3)15;1-2/h10,12H,5-9H2,1-4H3;1-2H3
InChIKeyFHOIFMUARUUUFO-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.61
Rot. Bonds3

About ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide

ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide (PubChem CID 155739583) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Nameethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide
PubChem CID155739583
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Nameethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide
SMILESCC.CC(=O)N(C)C1CCN(CC(C)C)CC1
InChIInChI=1S/C12H24N2O.C2H6/c1-10(2)9-14-7-5-12(6-8-14)13(4)11(3)15;1-2/h10,12H,5-9H2,1-4H3;1-2H3
InChIKeyFHOIFMUARUUUFO-UHFFFAOYSA-N
XLogP2.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide
CID 111106124
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,N-dimethyl-1-(2-methylpropyl)piperidine-4-carboxamide
CID 59603411
N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide
CID 54290996
N-(1-butylpiperidin-4-yl)-N-methylacetamide
CID 70802066
N-[1-(cyclohexylmethyl)piperidin-4-yl]-N-methylacetamide
CID 174748240
N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide
CID 171540237
N-methyl-N,1-bis(2-methylpropyl)piperidin-4-amine
CID 138728386
N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide
CID 178115715
N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide;methoxymethane
CID 54290995
methane;N-methyl-N,1-bis(2-methylpropyl)piperidin-4-amine
CID 162017171

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide?
The IUPAC name of ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide (CID 155739583) is ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide.
What is the SMILES notation for ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide?
The canonical SMILES for ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide is CC.CC(=O)N(C)C1CCN(CC(C)C)CC1.
What is the InChIKey of ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide?
The InChIKey is FHOIFMUARUUUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.C2H6/c1-10(2)9-14-7-5-12(6-8-14)13(4)11(3)15;1-2/h10,12H,5-9H2,1-4H3;1-2H3.
What are the key properties of ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide?
ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide has a molecular weight of 242.41 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 155739583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).