N,N-dimethyl-2-[[4-(1-methylpiperidin-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide

C15H29N3O3 — CID 162798298

IUPACN,N-dimethyl-2-[[4-(1-methylpiperidin-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide
SMILESCN1CCC(N2CCOCC(OCC(=O)N(C)C)C2)CC1
InChIInChI=1S/C15H29N3O3/c1-16(2)15(19)12-21-14-10-18(8-9-20-11-14)13-4-6-17(3)7-5-13/h13-14H,4-12H2,1-3H3
InChIKeyAVANGWASYSUYLT-UHFFFAOYSA-N
MW299.41 g/mol
LogP-0.11
Rot. Bonds4

About N,N-dimethyl-2-[[4-(1-methylpiperidin-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide

N,N-dimethyl-2-[[4-(1-methylpiperidin-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide (PubChem CID 162798298) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[[4-(1-methylpiperidin-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[4-(1-methylpiperidin-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide
PubChem CID162798298
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC NameN,N-dimethyl-2-[[4-(1-methylpiperidin-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide
SMILESCN1CCC(N2CCOCC(OCC(=O)N(C)C)C2)CC1
InChIInChI=1S/C15H29N3O3/c1-16(2)15(19)12-21-14-10-18(8-9-20-11-14)13-4-6-17(3)7-5-13/h13-14H,4-12H2,1-3H3
InChIKeyAVANGWASYSUYLT-UHFFFAOYSA-N
XLogP-0.11
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[4-(1-methylpiperidin-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[4-(1-methylpiperidin-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide (CID 162798298) is N,N-dimethyl-2-[[4-(1-methylpiperidin-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[4-(1-methylpiperidin-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[4-(1-methylpiperidin-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide is CN1CCC(N2CCOCC(OCC(=O)N(C)C)C2)CC1.
What is the InChIKey of N,N-dimethyl-2-[[4-(1-methylpiperidin-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide?
The InChIKey is AVANGWASYSUYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-16(2)15(19)12-21-14-10-18(8-9-20-11-14)13-4-6-17(3)7-5-13/h13-14H,4-12H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[4-(1-methylpiperidin-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide?
N,N-dimethyl-2-[[4-(1-methylpiperidin-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide has a molecular weight of 299.41 g/mol, XLogP of -0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[4-(1-methylpiperidin-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide is sourced from PubChem (CID 162798298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).