3-(1,4-diazepan-1-yl)-2-methyloxolane-3-carboxamide

C11H21N3O2 — CID 82719414

IUPAC3-(1,4-diazepan-1-yl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1(C(N)=O)N1CCCNCC1
InChIInChI=1S/C11H21N3O2/c1-9-11(10(12)15,3-8-16-9)14-6-2-4-13-5-7-14/h9,13H,2-8H2,1H3,(H2,12,15)
InChIKeyUQSUWIVSHBTAOO-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.69
Rot. Bonds2

About 3-(1,4-diazepan-1-yl)-2-methyloxolane-3-carboxamide

3-(1,4-diazepan-1-yl)-2-methyloxolane-3-carboxamide (PubChem CID 82719414) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(1,4-diazepan-1-yl)-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name3-(1,4-diazepan-1-yl)-2-methyloxolane-3-carboxamide
PubChem CID82719414
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-(1,4-diazepan-1-yl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1(C(N)=O)N1CCCNCC1
InChIInChI=1S/C11H21N3O2/c1-9-11(10(12)15,3-8-16-9)14-6-2-4-13-5-7-14/h9,13H,2-8H2,1H3,(H2,12,15)
InChIKeyUQSUWIVSHBTAOO-UHFFFAOYSA-N
XLogP-0.69
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-diazepan-1-yl)-2-methyloxolane-3-carboxamide?
The IUPAC name of 3-(1,4-diazepan-1-yl)-2-methyloxolane-3-carboxamide (CID 82719414) is 3-(1,4-diazepan-1-yl)-2-methyloxolane-3-carboxamide.
What is the SMILES notation for 3-(1,4-diazepan-1-yl)-2-methyloxolane-3-carboxamide?
The canonical SMILES for 3-(1,4-diazepan-1-yl)-2-methyloxolane-3-carboxamide is CC1OCCC1(C(N)=O)N1CCCNCC1.
What is the InChIKey of 3-(1,4-diazepan-1-yl)-2-methyloxolane-3-carboxamide?
The InChIKey is UQSUWIVSHBTAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9-11(10(12)15,3-8-16-9)14-6-2-4-13-5-7-14/h9,13H,2-8H2,1H3,(H2,12,15).
What are the key properties of 3-(1,4-diazepan-1-yl)-2-methyloxolane-3-carboxamide?
3-(1,4-diazepan-1-yl)-2-methyloxolane-3-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-diazepan-1-yl)-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 82719414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).