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

C11H20N2O2 — CID 63308401

IUPACcyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CC1)N1CCCN(CCO)CC1
InChIInChI=1S/C11H20N2O2/c14-9-8-12-4-1-5-13(7-6-12)11(15)10-2-3-10/h10,14H,1-9H2
InChIKeyWDAVMAUCXJEPSU-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.08
Rot. Bonds3

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

cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone (PubChem CID 63308401) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
PubChem CID63308401
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namecyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CC1)N1CCCN(CCO)CC1
InChIInChI=1S/C11H20N2O2/c14-9-8-12-4-1-5-13(7-6-12)11(15)10-2-3-10/h10,14H,1-9H2
InChIKeyWDAVMAUCXJEPSU-UHFFFAOYSA-N
XLogP-0.08
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63309624
1-[4-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 63308410
cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 64766485
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 55204831
[4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 43252118
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 63308795
[3-(2-aminoethyl)cyclohexyl]-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107226614
(3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 55134344
[4-(2-hydroxyethyl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 94191646
N-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 63309757
[4-(2-hydroxyethyl)piperazin-1-yl]-(6-methylpiperidin-3-yl)methanone
CID 43592211
[4-(2-hydroxyethyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone
CID 110903689

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone (CID 63308401) is cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone is O=C(C1CC1)N1CCCN(CCO)CC1.
What is the InChIKey of cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is WDAVMAUCXJEPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-9-8-12-4-1-5-13(7-6-12)11(15)10-2-3-10/h10,14H,1-9H2.
What are the key properties of cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone?
cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 212.29 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 63308401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).