2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one

C17H32N2O — CID 64611265

IUPAC2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CCCCCC1C1CCNCC1
InChIInChI=1S/C17H32N2O/c1-3-14(4-2)17(20)19-13-7-5-6-8-16(19)15-9-11-18-12-10-15/h14-16,18H,3-13H2,1-2H3
InChIKeyQSEFGWOEZSTUER-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.19
Rot. Bonds4

About 2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one

2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one (PubChem CID 64611265) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one
PubChem CID64611265
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CCCCCC1C1CCNCC1
InChIInChI=1S/C17H32N2O/c1-3-14(4-2)17(20)19-13-7-5-6-8-16(19)15-9-11-18-12-10-15/h14-16,18H,3-13H2,1-2H3
InChIKeyQSEFGWOEZSTUER-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-piperidin-4-ylazepane-1-carboxamide
CID 63904195
1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone
CID 115949324
2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone
CID 173143766
2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 62274755
2-ethyl-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one
CID 43429060
tert-butyl 2-piperidin-4-ylazepane-1-carboxylate
CID 64612498
2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone
CID 93394797
N,N-diethyl-2-(2-piperidin-4-ylazepan-1-yl)acetamide
CID 64852409
(2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
CID 134348850
N-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide
CID 116658214
phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone
CID 95241507
1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 61063339

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one?
The IUPAC name of 2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one (CID 64611265) is 2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one is CCC(CC)C(=O)N1CCCCCC1C1CCNCC1.
What is the InChIKey of 2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one?
The InChIKey is QSEFGWOEZSTUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-14(4-2)17(20)19-13-7-5-6-8-16(19)15-9-11-18-12-10-15/h14-16,18H,3-13H2,1-2H3.
What are the key properties of 2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one?
2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one has a molecular weight of 280.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one is sourced from PubChem (CID 64611265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).