[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-piperidin-1-ylmethanone

C13H25N3O2 — CID 78942645

IUPAC[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CCCN(CCO)CC1
InChIInChI=1S/C13H25N3O2/c17-12-11-14-5-4-8-16(10-9-14)13(18)15-6-2-1-3-7-15/h17H,1-12H2
InChIKeyZUGUMKXOLWBXNQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.59
Rot. Bonds2

About [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-piperidin-1-ylmethanone

[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-piperidin-1-ylmethanone (PubChem CID 78942645) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-piperidin-1-ylmethanone
PubChem CID78942645
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CCCN(CCO)CC1
InChIInChI=1S/C13H25N3O2/c17-12-11-14-5-4-8-16(10-9-14)13(18)15-6-2-1-3-7-15/h17H,1-12H2
InChIKeyZUGUMKXOLWBXNQ-UHFFFAOYSA-N
XLogP0.59
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Hydroxy-1,5-diazabicyclo[3.2.1]octan-8-one
CID 134612949
4-(Piperidine-1-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493141
N-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 68606002
N-ethyl-N-(2-hydroxyethyl)piperidine-1-carboxamide
CID 12587954
2-[4-(2-Hydroxyethyl)-1,4-diazepan-1-yl]-1-piperidin-1-ylethanone
CID 63309739
[4-(2-Hydroxyethyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
CID 78942628
[4-(2-Hydroxyethyl)-1,4-diazepan-1-yl]-pyrrolidin-1-ylmethanone
CID 78942633
4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide
CID 78942634
[4-(2-Hydroxyethyl)piperazin-1-yl]-piperidin-1-ylmethanone
CID 78942658
N-ethyl-N-(2-hydroxyethyl)azepane-1-carboxamide
CID 79151842
N-(2-hydroxyethyl)-N-methylazepane-1-carboxamide
CID 79151935
Azepan-1-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 79152026

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-piperidin-1-ylmethanone (CID 78942645) is [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-piperidin-1-ylmethanone is O=C(N1CCCCC1)N1CCCN(CCO)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-piperidin-1-ylmethanone?
The InChIKey is ZUGUMKXOLWBXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c17-12-11-14-5-4-8-16(10-9-14)13(18)15-6-2-1-3-7-15/h17H,1-12H2.
What are the key properties of [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-piperidin-1-ylmethanone?
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-piperidin-1-ylmethanone has a molecular weight of 255.36 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 78942645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).