2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide

C13H26N4O — CID 62838906

IUPAC2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide
SMILESCN1CCCC(NC(=O)CN2CCCNCC2)C1
InChIInChI=1S/C13H26N4O/c1-16-7-2-4-12(10-16)15-13(18)11-17-8-3-5-14-6-9-17/h12,14H,2-11H2,1H3,(H,15,18)
InChIKeyXFBVHLWGTSUVSQ-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.51
Rot. Bonds3

About 2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide

2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide (PubChem CID 62838906) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide
PubChem CID62838906
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide
SMILESCN1CCCC(NC(=O)CN2CCCNCC2)C1
InChIInChI=1S/C13H26N4O/c1-16-7-2-4-12(10-16)15-13(18)11-17-8-3-5-14-6-9-17/h12,14H,2-11H2,1H3,(H,15,18)
InChIKeyXFBVHLWGTSUVSQ-UHFFFAOYSA-N
XLogP-0.51
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-3-yl)-2-piperazin-1-ylacetamide
CID 61212006
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63043303
N-(1-methylpiperidin-3-yl)-3-piperidin-4-ylpropanamide
CID 62209904
N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide
CID 121458775
N-(cyclopentylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162551
N-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide
CID 62839148
N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide
CID 81043754
1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea
CID 117234729
2-(1,4-diazepan-1-yl)-N-(3-ethoxycyclobutyl)acetamide
CID 114119164
2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79878300
N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide
CID 43162430
N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162505

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide (CID 62838906) is 2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide is CN1CCCC(NC(=O)CN2CCCNCC2)C1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide?
The InChIKey is XFBVHLWGTSUVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-16-7-2-4-12(10-16)15-13(18)11-17-8-3-5-14-6-9-17/h12,14H,2-11H2,1H3,(H,15,18).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide?
2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide has a molecular weight of 254.38 g/mol, XLogP of -0.51, 3 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-(1-methylpiperidin-3-yl)acetamide is sourced from PubChem (CID 62838906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).