2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]hexan-1-one

C18H34N2O2 — CID 122157670

IUPAC2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]hexan-1-one
SMILESCCCCC(C)C(=O)N1CCC(CCN2CCOCC2)CC1
InChIInChI=1S/C18H34N2O2/c1-3-4-5-16(2)18(21)20-10-7-17(8-11-20)6-9-19-12-14-22-15-13-19/h16-17H,3-15H2,1-2H3
InChIKeyAQOJWIPVTXKDRZ-UHFFFAOYSA-N
MW310.48 g/mol
LogP2.77
Rot. Bonds7

About 2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]hexan-1-one

2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]hexan-1-one (PubChem CID 122157670) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]hexan-1-one
PubChem CID122157670
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]hexan-1-one
SMILESCCCCC(C)C(=O)N1CCC(CCN2CCOCC2)CC1
InChIInChI=1S/C18H34N2O2/c1-3-4-5-16(2)18(21)20-10-7-17(8-11-20)6-9-19-12-14-22-15-13-19/h16-17H,3-15H2,1-2H3
InChIKeyAQOJWIPVTXKDRZ-UHFFFAOYSA-N
XLogP2.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 175666657
(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805
1-morpholin-4-yl-2-propylhexan-1-one
CID 146231854
(4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 39834967
(2S)-1-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one
CID 99107255
1-[(2S)-2-methylbutanoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 95778134
(2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one
CID 94907338
2-methyl-1-piperazin-1-ylhexan-1-one
CID 53216088
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
2-(1-hydroxycyclohexyl)-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
CID 75423557
[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 122136096
18-morpholin-4-yloctadecan-7-ol
CID 154324774

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]hexan-1-one?
The IUPAC name of 2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]hexan-1-one (CID 122157670) is 2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]hexan-1-one?
The canonical SMILES for 2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]hexan-1-one is CCCCC(C)C(=O)N1CCC(CCN2CCOCC2)CC1.
What is the InChIKey of 2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]hexan-1-one?
The InChIKey is AQOJWIPVTXKDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-3-4-5-16(2)18(21)20-10-7-17(8-11-20)6-9-19-12-14-22-15-13-19/h16-17H,3-15H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]hexan-1-one?
2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]hexan-1-one has a molecular weight of 310.48 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 122157670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).