1-morpholin-4-yl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone

C15H21N3O2 — CID 64851994

IUPAC1-morpholin-4-yl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
SMILESO=C(CN1CCCNc2ccccc21)N1CCOCC1
InChIInChI=1S/C15H21N3O2/c19-15(17-8-10-20-11-9-17)12-18-7-3-6-16-13-4-1-2-5-14(13)18/h1-2,4-5,16H,3,6-12H2
InChIKeyREKSJVWOTIFBJP-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.17
Rot. Bonds2

About 1-morpholin-4-yl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone

1-morpholin-4-yl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone (PubChem CID 64851994) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
PubChem CID64851994
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-morpholin-4-yl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
SMILESO=C(CN1CCCNc2ccccc21)N1CCOCC1
InChIInChI=1S/C15H21N3O2/c19-15(17-8-10-20-11-9-17)12-18-7-3-6-16-13-4-1-2-5-14(13)18/h1-2,4-5,16H,3,6-12H2
InChIKeyREKSJVWOTIFBJP-UHFFFAOYSA-N
XLogP1.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)acetamide
CID 64852004
3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide
CID 64852380
1-(azepan-1-yl)-2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 110754927
5-heptyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 64851622
5-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)pentanenitrile
CID 115311358
3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)pentan-3-ol
CID 114496626
2-(3-hydroxyphenyl)-1-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
CID 64851980
4-methyl-1-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)pentan-1-one
CID 64851404
1-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
CID 12858798
3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzamide
CID 115311326
cyclopropyl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
CID 64851401
5-(oxan-4-yl)-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 64851045

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone (CID 64851994) is 1-morpholin-4-yl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone is O=C(CN1CCCNc2ccccc21)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone?
The InChIKey is REKSJVWOTIFBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-15(17-8-10-20-11-9-17)12-18-7-3-6-16-13-4-1-2-5-14(13)18/h1-2,4-5,16H,3,6-12H2.
What are the key properties of 1-morpholin-4-yl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone?
1-morpholin-4-yl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone has a molecular weight of 275.35 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone is sourced from PubChem (CID 64851994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).