3-[3-(azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one

C18H33N3O2 — CID 56803567

IUPAC3-[3-(azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCCC(N2CCCCCC2)C1)N1CCOCC1
InChIInChI=1S/C18H33N3O2/c22-18(21-12-14-23-15-13-21)7-11-19-8-5-6-17(16-19)20-9-3-1-2-4-10-20/h17H,1-16H2
InChIKeyMVKMMPHDVZQMEH-UHFFFAOYSA-N
MW323.48 g/mol
LogP1.58
Rot. Bonds4

About 3-[3-(azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one

3-[3-(azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 56803567) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 3-[3-(azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[3-(azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID56803567
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name3-[3-(azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCCC(N2CCCCCC2)C1)N1CCOCC1
InChIInChI=1S/C18H33N3O2/c22-18(21-12-14-23-15-13-21)7-11-19-8-5-6-17(16-19)20-9-3-1-2-4-10-20/h17H,1-16H2
InChIKeyMVKMMPHDVZQMEH-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-piperazin-1-ylpropan-1-one
CID 79932789
3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid
CID 95599765
2-(2-piperidin-1-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 127337010
methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate
CID 95154053
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110422617
3-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982627
3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide
CID 63171229
1,3-bis(azepan-1-yl)propan-1-one
CID 109033498
1-[3-[3-(azepan-1-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 56783511
3-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 110264929
1-(2-morpholin-4-yl-2-oxoethyl)piperidine-3-carboxylic acid
CID 43385913
3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982571

Frequently Asked Questions

What is the IUPAC name of 3-[3-(azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[3-(azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 56803567) is 3-[3-(azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[3-(azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[3-(azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is O=C(CCN1CCCC(N2CCCCCC2)C1)N1CCOCC1.
What is the InChIKey of 3-[3-(azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is MVKMMPHDVZQMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c22-18(21-12-14-23-15-13-21)7-11-19-8-5-6-17(16-19)20-9-3-1-2-4-10-20/h17H,1-16H2.
What are the key properties of 3-[3-(azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
3-[3-(azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 323.48 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 56803567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).