morpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone

C13H23N3O2 — CID 23760989

IUPACmorpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
SMILESC=CCN1CCCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H23N3O2/c1-2-4-14-5-3-6-15(8-7-14)13(17)16-9-11-18-12-10-16/h2H,1,3-12H2
InChIKeyCCZMNBONQJBJQD-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.63
Rot. Bonds2

About morpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone

morpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone (PubChem CID 23760989) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is morpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
PubChem CID23760989
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Namemorpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
SMILESC=CCN1CCCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H23N3O2/c1-2-4-14-5-3-6-15(8-7-14)13(17)16-9-11-18-12-10-16/h2H,1,3-12H2
InChIKeyCCZMNBONQJBJQD-UHFFFAOYSA-N
XLogP0.63
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze morpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

furan-2-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95750017
2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid
CID 2050807
N-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
CID 41325287
1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone
CID 154703363
2-phenyl-1-(4-prop-2-enyl-1,4-diazepan-1-yl)ethanone
CID 95750020
2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 112723430
1-prop-2-enylpiperidine;urea
CID 66978518
2-ethyl-1-(4-prop-2-enyl-1,4-diazepan-1-yl)hexan-1-one
CID 110280914
(E)-3-phenyl-1-(4-prop-2-enyl-1,4-diazepan-1-yl)prop-2-en-1-one
CID 95750059
2-(5-methylpyrazol-1-yl)-1-(4-prop-2-enyl-1,4-diazepan-1-yl)ethanone
CID 91945370
cyclopropyl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6467866
1-prop-2-enyl(213C)azinane
CID 173137320

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of morpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone (CID 23760989) is morpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for morpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone is C=CCN1CCCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of morpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone?
The InChIKey is CCZMNBONQJBJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-4-14-5-3-6-15(8-7-14)13(17)16-9-11-18-12-10-16/h2H,1,3-12H2.
What are the key properties of morpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone?
morpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone has a molecular weight of 253.35 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 23760989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).