N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide

C14H27N3O3 — CID 125446643

IUPACN-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCN(C[C@H]1COCCO1)C(=O)CN(C)C1CCNCC1
InChIInChI=1S/C14H27N3O3/c1-16(12-3-5-15-6-4-12)10-14(18)17(2)9-13-11-19-7-8-20-13/h12-13,15H,3-11H2,1-2H3/t13-/m0/s1
InChIKeyVEAJETNVXIMWSG-ZDUSSCGKSA-N
MW285.39 g/mol
LogP-0.46
Rot. Bonds5

About N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide

N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide (PubChem CID 125446643) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
PubChem CID125446643
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC NameN-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCN(C[C@H]1COCCO1)C(=O)CN(C)C1CCNCC1
InChIInChI=1S/C14H27N3O3/c1-16(12-3-5-15-6-4-12)10-14(18)17(2)9-13-11-19-7-8-20-13/h12-13,15H,3-11H2,1-2H3/t13-/m0/s1
InChIKeyVEAJETNVXIMWSG-ZDUSSCGKSA-N
XLogP-0.46
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide?
The IUPAC name of N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide (CID 125446643) is N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide?
The canonical SMILES for N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide is CN(C[C@H]1COCCO1)C(=O)CN(C)C1CCNCC1.
What is the InChIKey of N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide?
The InChIKey is VEAJETNVXIMWSG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-16(12-3-5-15-6-4-12)10-14(18)17(2)9-13-11-19-7-8-20-13/h12-13,15H,3-11H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide?
N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide has a molecular weight of 285.39 g/mol, XLogP of -0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide is sourced from PubChem (CID 125446643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).