2-ethyl-1-[3-methyl-5-(propylamino)piperidin-1-yl]butan-1-one

C15H30N2O — CID 112541295

IUPAC2-ethyl-1-[3-methyl-5-(propylamino)piperidin-1-yl]butan-1-one
SMILESCCCNC1CC(C)CN(C(=O)C(CC)CC)C1
InChIInChI=1S/C15H30N2O/c1-5-8-16-14-9-12(4)10-17(11-14)15(18)13(6-2)7-3/h12-14,16H,5-11H2,1-4H3
InChIKeyOYEKGSFWCQCFGM-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.66
Rot. Bonds6

About 2-ethyl-1-[3-methyl-5-(propylamino)piperidin-1-yl]butan-1-one

2-ethyl-1-[3-methyl-5-(propylamino)piperidin-1-yl]butan-1-one (PubChem CID 112541295) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-ethyl-1-[3-methyl-5-(propylamino)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[3-methyl-5-(propylamino)piperidin-1-yl]butan-1-one
PubChem CID112541295
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-ethyl-1-[3-methyl-5-(propylamino)piperidin-1-yl]butan-1-one
SMILESCCCNC1CC(C)CN(C(=O)C(CC)CC)C1
InChIInChI=1S/C15H30N2O/c1-5-8-16-14-9-12(4)10-17(11-14)15(18)13(6-2)7-3/h12-14,16H,5-11H2,1-4H3
InChIKeyOYEKGSFWCQCFGM-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate
CID 83990962
2-ethyl-1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989799
(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpentan-1-one
CID 26832725
methyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate
CID 83990952
(3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 29057369
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylcyclobutane-1-sulfonamide
CID 136561883
2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid
CID 83991296
3-(cyclobutylmethylamino)-5-methylpiperidine-1-carboxamide
CID 83997098
1-[2-(cyclopentylmethyl)butanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119716
1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83991039
2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid
CID 64604130
N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 124507283

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[3-methyl-5-(propylamino)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[3-methyl-5-(propylamino)piperidin-1-yl]butan-1-one (CID 112541295) is 2-ethyl-1-[3-methyl-5-(propylamino)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[3-methyl-5-(propylamino)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[3-methyl-5-(propylamino)piperidin-1-yl]butan-1-one is CCCNC1CC(C)CN(C(=O)C(CC)CC)C1.
What is the InChIKey of 2-ethyl-1-[3-methyl-5-(propylamino)piperidin-1-yl]butan-1-one?
The InChIKey is OYEKGSFWCQCFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-8-16-14-9-12(4)10-17(11-14)15(18)13(6-2)7-3/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-1-[3-methyl-5-(propylamino)piperidin-1-yl]butan-1-one?
2-ethyl-1-[3-methyl-5-(propylamino)piperidin-1-yl]butan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[3-methyl-5-(propylamino)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 112541295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).