2-(1,4-diazepan-1-yl)-N-methyl-N-(1-propylpiperidin-4-yl)acetamide

C16H32N4O — CID 62837819

IUPAC2-(1,4-diazepan-1-yl)-N-methyl-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(N(C)C(=O)CN2CCCNCC2)CC1
InChIInChI=1S/C16H32N4O/c1-3-9-19-11-5-15(6-12-19)18(2)16(21)14-20-10-4-7-17-8-13-20/h15,17H,3-14H2,1-2H3
InChIKeyXKYYKZOZPHXEKU-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.61
Rot. Bonds5

About 2-(1,4-diazepan-1-yl)-N-methyl-N-(1-propylpiperidin-4-yl)acetamide

2-(1,4-diazepan-1-yl)-N-methyl-N-(1-propylpiperidin-4-yl)acetamide (PubChem CID 62837819) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-methyl-N-(1-propylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-methyl-N-(1-propylpiperidin-4-yl)acetamide
PubChem CID62837819
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name2-(1,4-diazepan-1-yl)-N-methyl-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(N(C)C(=O)CN2CCCNCC2)CC1
InChIInChI=1S/C16H32N4O/c1-3-9-19-11-5-15(6-12-19)18(2)16(21)14-20-10-4-7-17-8-13-20/h15,17H,3-14H2,1-2H3
InChIKeyXKYYKZOZPHXEKU-UHFFFAOYSA-N
XLogP0.61
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-methyl-N-(1-propylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-methyl-N-(1-propylpiperidin-4-yl)acetamide (CID 62837819) is 2-(1,4-diazepan-1-yl)-N-methyl-N-(1-propylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-methyl-N-(1-propylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-methyl-N-(1-propylpiperidin-4-yl)acetamide is CCCN1CCC(N(C)C(=O)CN2CCCNCC2)CC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-methyl-N-(1-propylpiperidin-4-yl)acetamide?
The InChIKey is XKYYKZOZPHXEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-3-9-19-11-5-15(6-12-19)18(2)16(21)14-20-10-4-7-17-8-13-20/h15,17H,3-14H2,1-2H3.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-methyl-N-(1-propylpiperidin-4-yl)acetamide?
2-(1,4-diazepan-1-yl)-N-methyl-N-(1-propylpiperidin-4-yl)acetamide has a molecular weight of 296.46 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-methyl-N-(1-propylpiperidin-4-yl)acetamide is sourced from PubChem (CID 62837819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).