2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone

C18H33N3O2 — CID 131914309

IUPAC2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCCCC1)N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C18H33N3O2/c22-18(16-19-7-3-1-2-4-8-19)21-9-5-6-17(15-21)14-20-10-12-23-13-11-20/h17H,1-16H2
InChIKeyDCCINDSQKLFSIP-UHFFFAOYSA-N
MW323.48 g/mol
LogP1.43
Rot. Bonds4

About 2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone

2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 131914309) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
PubChem CID131914309
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCCCC1)N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C18H33N3O2/c22-18(16-19-7-3-1-2-4-8-19)21-9-5-6-17(15-21)14-20-10-12-23-13-11-20/h17H,1-16H2
InChIKeyDCCINDSQKLFSIP-UHFFFAOYSA-N
XLogP1.43
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 126446645
(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 119875808
ethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate
CID 55506082
1-(4-acetylpiperazin-1-yl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 60503697
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 60503561
[3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone
CID 119875712
1-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95889176
3-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982627
2-methyl-1-[2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 91780645
1-(2-morpholin-4-yl-2-oxoethyl)piperidine-3-carboxylic acid
CID 43385913
4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one
CID 86915832
(1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875759

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone (CID 131914309) is 2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone is O=C(CN1CCCCCC1)N1CCCC(CN2CCOCC2)C1.
What is the InChIKey of 2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is DCCINDSQKLFSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c22-18(16-19-7-3-1-2-4-8-19)21-9-5-6-17(15-21)14-20-10-12-23-13-11-20/h17H,1-16H2.
What are the key properties of 2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 323.48 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 131914309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).