morpholin-2-yl-(4-propyl-1,4-diazepan-1-yl)methanone

C13H25N3O2 — CID 131911390

IUPACmorpholin-2-yl-(4-propyl-1,4-diazepan-1-yl)methanone
SMILESCCCN1CCCN(C(=O)C2CNCCO2)CC1
InChIInChI=1S/C13H25N3O2/c1-2-5-15-6-3-7-16(9-8-15)13(17)12-11-14-4-10-18-12/h12,14H,2-11H2,1H3
InChIKeyVICPBMIWDOFJSR-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.08
Rot. Bonds3

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

morpholin-2-yl-(4-propyl-1,4-diazepan-1-yl)methanone (PubChem CID 131911390) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is morpholin-2-yl-(4-propyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Namemorpholin-2-yl-(4-propyl-1,4-diazepan-1-yl)methanone
PubChem CID131911390
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Namemorpholin-2-yl-(4-propyl-1,4-diazepan-1-yl)methanone
SMILESCCCN1CCCN(C(=O)C2CNCCO2)CC1
InChIInChI=1S/C13H25N3O2/c1-2-5-15-6-3-7-16(9-8-15)13(17)12-11-14-4-10-18-12/h12,14H,2-11H2,1H3
InChIKeyVICPBMIWDOFJSR-UHFFFAOYSA-N
XLogP-0.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119838568
morpholin-2-yl(piperidin-1-yl)methanone;hydrochloride
CID 71298615
2-[4-(morpholine-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride
CID 119837297
(4,4-diethylpiperidin-1-yl)-morpholin-2-ylmethanone
CID 55160831
2-[4-(morpholine-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 119834280
1-(2-methylpiperidin-1-yl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]ethanone
CID 119851432
(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 94915615
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119747817
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119877152
(1,1-dioxo-1,4-thiazepan-4-yl)-morpholin-2-ylmethanone
CID 113266787
morpholin-2-yl-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119897545
[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-morpholin-2-ylmethanone
CID 70260999

Frequently Asked Questions

What is the IUPAC name of morpholin-2-yl-(4-propyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of morpholin-2-yl-(4-propyl-1,4-diazepan-1-yl)methanone (CID 131911390) is morpholin-2-yl-(4-propyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for morpholin-2-yl-(4-propyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for morpholin-2-yl-(4-propyl-1,4-diazepan-1-yl)methanone is CCCN1CCCN(C(=O)C2CNCCO2)CC1.
What is the InChIKey of morpholin-2-yl-(4-propyl-1,4-diazepan-1-yl)methanone?
The InChIKey is VICPBMIWDOFJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-5-15-6-3-7-16(9-8-15)13(17)12-11-14-4-10-18-12/h12,14H,2-11H2,1H3.
What are the key properties of morpholin-2-yl-(4-propyl-1,4-diazepan-1-yl)methanone?
morpholin-2-yl-(4-propyl-1,4-diazepan-1-yl)methanone has a molecular weight of 255.36 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-yl-(4-propyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 131911390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).