2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide

C13H25N3O2 — CID 55228378

IUPAC2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide
SMILESO=C(CN1CCCNCC1)NCC1CCOCC1
InChIInChI=1S/C13H25N3O2/c17-13(11-16-6-1-4-14-5-7-16)15-10-12-2-8-18-9-3-12/h12,14H,1-11H2,(H,15,17)
InChIKeyDMMDQWYHRCJQDO-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.18
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide

2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide (PubChem CID 55228378) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide
PubChem CID55228378
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide
SMILESO=C(CN1CCCNCC1)NCC1CCOCC1
InChIInChI=1S/C13H25N3O2/c17-13(11-16-6-1-4-14-5-7-16)15-10-12-2-8-18-9-3-12/h12,14H,1-11H2,(H,15,17)
InChIKeyDMMDQWYHRCJQDO-UHFFFAOYSA-N
XLogP-0.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-2-piperazin-1-ylacetamide
CID 43298878
4-[[[2-(1,4-diazepan-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79525940
ethane;molecular hydrogen;2-piperazin-1-yl-N-(piperidin-4-ylmethyl)acetamide
CID 177321914
N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide
CID 54927931
N-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide
CID 62839148
N-(oxan-4-ylmethyl)-3-piperazin-1-ylbutanamide
CID 115189158
2-(1,4-diazepan-1-yl)acetohydrazide
CID 63577135
2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide
CID 62839766
methyl 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]propanoate
CID 62837481
N-(2-methyl-2-morpholin-4-ylpropyl)-2-piperazin-1-ylacetamide
CID 61250159
N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide
CID 79401234
N-[(2-ethyloxolan-3-yl)methyl]-2-piperazin-1-ylacetamide
CID 114105696

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide (CID 55228378) is 2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide is O=C(CN1CCCNCC1)NCC1CCOCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is DMMDQWYHRCJQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c17-13(11-16-6-1-4-14-5-7-16)15-10-12-2-8-18-9-3-12/h12,14H,1-11H2,(H,15,17).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 255.36 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 55228378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).