1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone

C17H24N2O3 — CID 124610969

IUPAC1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESO=C(c1ccccc1OC[C@H]1CCCO1)N1CCCNCC1
InChIInChI=1S/C17H24N2O3/c20-17(19-10-4-8-18-9-11-19)15-6-1-2-7-16(15)22-13-14-5-3-12-21-14/h1-2,6-7,14,18H,3-5,8-13H2/t14-/m1/s1
InChIKeyPPKRIEYBSJUWOL-CQSZACIVSA-N
MW304.39 g/mol
LogP1.68
Rot. Bonds4

About 1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone

1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone (PubChem CID 124610969) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone.

Molecular Properties

Compound Name1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
PubChem CID124610969
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESO=C(c1ccccc1OC[C@H]1CCCO1)N1CCCNCC1
InChIInChI=1S/C17H24N2O3/c20-17(19-10-4-8-18-9-11-19)15-6-1-2-7-16(15)22-13-14-5-3-12-21-14/h1-2,6-7,14,18H,3-5,8-13H2/t14-/m1/s1
InChIKeyPPKRIEYBSJUWOL-CQSZACIVSA-N
XLogP1.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone with MolForge

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Related Compounds

[(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124591399
[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 51927276
1,4-diazepan-1-yl-[3-(oxolan-2-ylmethoxy)phenyl]methanone;hydrochloride
CID 119414799
[2-(oxolan-2-ylmethoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 42937228
(3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125148522
(3R)-3-methyl-1-[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125148523
3-methyl-1-[2-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119256061
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]-2-phenylacetonitrile
CID 112810509
2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone
CID 18103454
[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 39723479
1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
CID 119415302

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone?
The IUPAC name of 1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone (CID 124610969) is 1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone.
What is the SMILES notation for 1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone?
The canonical SMILES for 1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone is O=C(c1ccccc1OC[C@H]1CCCO1)N1CCCNCC1.
What is the InChIKey of 1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone?
The InChIKey is PPKRIEYBSJUWOL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-17(19-10-4-8-18-9-11-19)15-6-1-2-7-16(15)22-13-14-5-3-12-21-14/h1-2,6-7,14,18H,3-5,8-13H2/t14-/m1/s1.
What are the key properties of 1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone?
1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone has a molecular weight of 304.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone is sourced from PubChem (CID 124610969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).