[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone

C12H22N2O3 — CID 63308795

IUPAC[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCCN(CCO)CC1
InChIInChI=1S/C12H22N2O3/c15-9-8-13-4-2-5-14(7-6-13)12(16)11-3-1-10-17-11/h11,15H,1-10H2
InChIKeyWSHNDLCGFUKHCU-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.31
Rot. Bonds3

About [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone

[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone (PubChem CID 63308795) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
PubChem CID63308795
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCCN(CCO)CC1
InChIInChI=1S/C12H22N2O3/c15-9-8-13-4-2-5-14(7-6-13)12(16)11-3-1-10-17-11/h11,15H,1-10H2
InChIKeyWSHNDLCGFUKHCU-UHFFFAOYSA-N
XLogP-0.31
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 43251431
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308401
1,4-dioxan-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43427982
cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63309624
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile
CID 27280952
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 134046835
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796627
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 63336105
oxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 134704589
[4-[2-(2-methylbutan-2-yloxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 70950376
[(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 134714404

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone (CID 63308795) is [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCCN(CCO)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is WSHNDLCGFUKHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c15-9-8-13-4-2-5-14(7-6-13)12(16)11-3-1-10-17-11/h11,15H,1-10H2.
What are the key properties of [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone?
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 242.32 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 63308795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).