ethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen

C14H32N2O — CID 176985779

IUPACethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen
SMILESCC.CCC(C)C(=O)NCCC1CCNCC1.[H][H]
InChIInChI=1S/C12H24N2O.C2H6.H2/c1-3-10(2)12(15)14-9-6-11-4-7-13-8-5-11;1-2;/h10-11,13H,3-9H2,1-2H3,(H,14,15);1-2H3;1H
InChIKeyQITNUKJIFZLCNC-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.81
Rot. Bonds5

About ethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen

ethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen (PubChem CID 176985779) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is ethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen
PubChem CID176985779
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Nameethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen
SMILESCC.CCC(C)C(=O)NCCC1CCNCC1.[H][H]
InChIInChI=1S/C12H24N2O.C2H6.H2/c1-3-10(2)12(15)14-9-6-11-4-7-13-8-5-11;1-2;/h10-11,13H,3-9H2,1-2H3,(H,14,15);1-2H3;1H
InChIKeyQITNUKJIFZLCNC-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-(2-piperidin-4-ylethyl)urea
CID 60903315
2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 63624155
N-(2-piperidin-4-ylethyl)acetamide;hydrochloride
CID 70084913
2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534841
N-(2-piperidin-4-ylethyl)cycloheptanecarboxamide
CID 62587221
N-butyl-2-[methyl(2-piperidin-4-ylethyl)amino]propanamide
CID 66271946
N-(2-piperidin-4-ylethyl)oxane-4-carboxamide
CID 62907394
N-butan-2-yl-3-piperidin-4-ylpropanamide
CID 62210305
N-(2-cyclohexylethyl)-3-(ethylamino)-2-methylpropanamide
CID 62853087
butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate
CID 19020689
N-(2-cyclohexylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195699
N-(2-cyclobutylethyl)-3-piperidin-4-ylpropanamide
CID 115870643

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen?
The IUPAC name of ethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen (CID 176985779) is ethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen.
What is the SMILES notation for ethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen?
The canonical SMILES for ethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen is CC.CCC(C)C(=O)NCCC1CCNCC1.[H][H].
What is the InChIKey of ethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen?
The InChIKey is QITNUKJIFZLCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.C2H6.H2/c1-3-10(2)12(15)14-9-6-11-4-7-13-8-5-11;1-2;/h10-11,13H,3-9H2,1-2H3,(H,14,15);1-2H3;1H.
What are the key properties of ethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen?
ethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen has a molecular weight of 244.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen is sourced from PubChem (CID 176985779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).