7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one

C14H23N3O2 — CID 54259833

IUPAC7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one
SMILESO=C(CCCCCCn1ccnc1)N1CCOCC1
InChIInChI=1S/C14H23N3O2/c18-14(17-9-11-19-12-10-17)5-3-1-2-4-7-16-8-6-15-13-16/h6,8,13H,1-5,7,9-12H2
InChIKeyWUAXCXKYBNXREB-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.69
Rot. Bonds7

About 7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one

7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one (PubChem CID 54259833) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one.

Molecular Properties

Compound Name7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one
PubChem CID54259833
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one
SMILESO=C(CCCCCCn1ccnc1)N1CCOCC1
InChIInChI=1S/C14H23N3O2/c18-14(17-9-11-19-12-10-17)5-3-1-2-4-7-16-8-6-15-13-16/h6,8,13H,1-5,7,9-12H2
InChIKeyWUAXCXKYBNXREB-UHFFFAOYSA-N
XLogP1.69
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 97026411
4-imidazol-1-yl-1-(3-sulfanylidenemorpholin-4-yl)butan-1-one
CID 173363350
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one
CID 110159573
1-[3,5-bis(3-imidazol-1-ylpropanoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118048041
4-imidazol-1-yl-1-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)butan-1-one
CID 118761204
1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 72918461
4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
CID 124944928
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-imidazol-1-ylpropan-1-one
CID 71927864
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 71788587
1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 81208109
4-imidazol-1-yl-1-[(6R)-6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]butan-1-one
CID 125005388

Frequently Asked Questions

What is the IUPAC name of 7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one?
The IUPAC name of 7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one (CID 54259833) is 7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one.
What is the SMILES notation for 7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one?
The canonical SMILES for 7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one is O=C(CCCCCCn1ccnc1)N1CCOCC1.
What is the InChIKey of 7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one?
The InChIKey is WUAXCXKYBNXREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c18-14(17-9-11-19-12-10-17)5-3-1-2-4-7-16-8-6-15-13-16/h6,8,13H,1-5,7,9-12H2.
What are the key properties of 7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one?
7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one has a molecular weight of 265.36 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one is sourced from PubChem (CID 54259833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).