2-[4-(4-aminocyclopent-2-ene-1-carbonyl)-1,4-diazepan-1-yl]acetamide

C13H22N4O2 — CID 79210332

IUPAC2-[4-(4-aminocyclopent-2-ene-1-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESNC(=O)CN1CCCN(C(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C13H22N4O2/c14-11-3-2-10(8-11)13(19)17-5-1-4-16(6-7-17)9-12(15)18/h2-3,10-11H,1,4-9,14H2,(H2,15,18)
InChIKeyZLYVBELVJBWVNT-UHFFFAOYSA-N
MW266.34 g/mol
LogP-1.09
Rot. Bonds3

About 2-[4-(4-aminocyclopent-2-ene-1-carbonyl)-1,4-diazepan-1-yl]acetamide

2-[4-(4-aminocyclopent-2-ene-1-carbonyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 79210332) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[4-(4-aminocyclopent-2-ene-1-carbonyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-aminocyclopent-2-ene-1-carbonyl)-1,4-diazepan-1-yl]acetamide
PubChem CID79210332
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[4-(4-aminocyclopent-2-ene-1-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESNC(=O)CN1CCCN(C(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C13H22N4O2/c14-11-3-2-10(8-11)13(19)17-5-1-4-16(6-7-17)9-12(15)18/h2-3,10-11H,1,4-9,14H2,(H2,15,18)
InChIKeyZLYVBELVJBWVNT-UHFFFAOYSA-N
XLogP-1.09
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone
CID 79211513
(4-aminocyclopent-2-en-1-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 79207709
2-[4-(2-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 64822046
2-(azetidin-1-yl)acetamide
CID 18923030
2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 54873622
2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 56820036
(4-aminocyclopent-2-en-1-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 79207806
(4-aminocyclopent-2-en-1-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81104024
2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide
CID 54873492
2-[4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-1-yl]acetamide
CID 60963214
2-[4-[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 95584813
(4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696679

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminocyclopent-2-ene-1-carbonyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of 2-[4-(4-aminocyclopent-2-ene-1-carbonyl)-1,4-diazepan-1-yl]acetamide (CID 79210332) is 2-[4-(4-aminocyclopent-2-ene-1-carbonyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for 2-[4-(4-aminocyclopent-2-ene-1-carbonyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for 2-[4-(4-aminocyclopent-2-ene-1-carbonyl)-1,4-diazepan-1-yl]acetamide is NC(=O)CN1CCCN(C(=O)C2C=CC(N)C2)CC1.
What is the InChIKey of 2-[4-(4-aminocyclopent-2-ene-1-carbonyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is ZLYVBELVJBWVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c14-11-3-2-10(8-11)13(19)17-5-1-4-16(6-7-17)9-12(15)18/h2-3,10-11H,1,4-9,14H2,(H2,15,18).
What are the key properties of 2-[4-(4-aminocyclopent-2-ene-1-carbonyl)-1,4-diazepan-1-yl]acetamide?
2-[4-(4-aminocyclopent-2-ene-1-carbonyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 266.34 g/mol, XLogP of -1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminocyclopent-2-ene-1-carbonyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 79210332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).