(6R)-N,N-dimethyl-1-(oxan-4-yl)-1,4-diazepane-6-carboxamide

C13H25N3O2 — CID 95804991

IUPAC(6R)-N,N-dimethyl-1-(oxan-4-yl)-1,4-diazepane-6-carboxamide
SMILESCN(C)C(=O)[C@@H]1CNCCN(C2CCOCC2)C1
InChIInChI=1S/C13H25N3O2/c1-15(2)13(17)11-9-14-5-6-16(10-11)12-3-7-18-8-4-12/h11-12,14H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyIFLRQXYDOZEUMC-LLVKDONJSA-N
MW255.36 g/mol
LogP-0.22
Rot. Bonds2

About (6R)-N,N-dimethyl-1-(oxan-4-yl)-1,4-diazepane-6-carboxamide

(6R)-N,N-dimethyl-1-(oxan-4-yl)-1,4-diazepane-6-carboxamide (PubChem CID 95804991) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (6R)-N,N-dimethyl-1-(oxan-4-yl)-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6R)-N,N-dimethyl-1-(oxan-4-yl)-1,4-diazepane-6-carboxamide
PubChem CID95804991
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(6R)-N,N-dimethyl-1-(oxan-4-yl)-1,4-diazepane-6-carboxamide
SMILESCN(C)C(=O)[C@@H]1CNCCN(C2CCOCC2)C1
InChIInChI=1S/C13H25N3O2/c1-15(2)13(17)11-9-14-5-6-16(10-11)12-3-7-18-8-4-12/h11-12,14H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyIFLRQXYDOZEUMC-LLVKDONJSA-N
XLogP-0.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-N,N-dimethyl-1-(oxan-4-yl)-1,4-diazepane-6-carboxamide?
The IUPAC name of (6R)-N,N-dimethyl-1-(oxan-4-yl)-1,4-diazepane-6-carboxamide (CID 95804991) is (6R)-N,N-dimethyl-1-(oxan-4-yl)-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6R)-N,N-dimethyl-1-(oxan-4-yl)-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6R)-N,N-dimethyl-1-(oxan-4-yl)-1,4-diazepane-6-carboxamide is CN(C)C(=O)[C@@H]1CNCCN(C2CCOCC2)C1.
What is the InChIKey of (6R)-N,N-dimethyl-1-(oxan-4-yl)-1,4-diazepane-6-carboxamide?
The InChIKey is IFLRQXYDOZEUMC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-15(2)13(17)11-9-14-5-6-16(10-11)12-3-7-18-8-4-12/h11-12,14H,3-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (6R)-N,N-dimethyl-1-(oxan-4-yl)-1,4-diazepane-6-carboxamide?
(6R)-N,N-dimethyl-1-(oxan-4-yl)-1,4-diazepane-6-carboxamide has a molecular weight of 255.36 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N,N-dimethyl-1-(oxan-4-yl)-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 95804991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).