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

C15H28N2O2 — CID 63309624

IUPACcycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CCCCCC1)N1CCCN(CCO)CC1
InChIInChI=1S/C15H28N2O2/c18-13-12-16-8-5-9-17(11-10-16)15(19)14-6-3-1-2-4-7-14/h14,18H,1-13H2
InChIKeyJPQNBTCOXWGGMU-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.48
Rot. Bonds3

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

cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone (PubChem CID 63309624) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
PubChem CID63309624
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namecycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CCCCCC1)N1CCCN(CCO)CC1
InChIInChI=1S/C15H28N2O2/c18-13-12-16-8-5-9-17(11-10-16)15(19)14-6-3-1-2-4-7-14/h14,18H,1-13H2
InChIKeyJPQNBTCOXWGGMU-UHFFFAOYSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308401
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
[3-(2-aminoethyl)cyclohexyl]-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107226614
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cyclopentyl-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336576
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 110665012
(3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 55134344
cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074992

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone (CID 63309624) is cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone is O=C(C1CCCCCC1)N1CCCN(CCO)CC1.
What is the InChIKey of cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is JPQNBTCOXWGGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c18-13-12-16-8-5-9-17(11-10-16)15(19)14-6-3-1-2-4-7-14/h14,18H,1-13H2.
What are the key properties of cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone?
cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 268.40 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 63309624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).