cyclopent-3-en-1-yl-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone

C18H26N4O2 — CID 97390211

IUPACcyclopent-3-en-1-yl-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
SMILESO=C(C1CC=CC1)N1CCc2ncc(CN3CCOCC3)n2CC1
InChIInChI=1S/C18H26N4O2/c23-18(15-3-1-2-4-15)21-6-5-17-19-13-16(22(17)8-7-21)14-20-9-11-24-12-10-20/h1-2,13,15H,3-12,14H2
InChIKeyMNARDCMJLXQBIT-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.07
Rot. Bonds3

About cyclopent-3-en-1-yl-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone

cyclopent-3-en-1-yl-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone (PubChem CID 97390211) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
PubChem CID97390211
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Namecyclopent-3-en-1-yl-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
SMILESO=C(C1CC=CC1)N1CCc2ncc(CN3CCOCC3)n2CC1
InChIInChI=1S/C18H26N4O2/c23-18(15-3-1-2-4-15)21-6-5-17-19-13-16(22(17)8-7-21)14-20-9-11-24-12-10-20/h1-2,13,15H,3-12,14H2
InChIKeyMNARDCMJLXQBIT-UHFFFAOYSA-N
XLogP1.07
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Oxan-4-yl-[3-(pyrrolidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 97467022
Oxan-4-yl-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 97467045
2-Cyclopropyl-1-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone
CID 97467064
[3-(Morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(oxan-4-yl)methanone
CID 97467067
Cyclopent-3-en-1-yl-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 98614601
Cyclopent-3-en-1-yl-[3-[[2-(methoxymethyl)-5-methylimidazol-1-yl]methyl]azetidin-1-yl]methanone
CID 124046985
(3-Fluorocyclobutyl)-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 129555782
(3,3-Difluorocyclobutyl)-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 129555784
(1-Fluorocyclopropyl)-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 129555791
(1-Fluorocyclobutyl)-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 129555803
cyclopent-3-en-1-yl-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97390258
[3-(Diethylaminomethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-morpholin-4-ylmethanone
CID 97466983

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone (CID 97390211) is cyclopent-3-en-1-yl-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone is O=C(C1CC=CC1)N1CCc2ncc(CN3CCOCC3)n2CC1.
What is the InChIKey of cyclopent-3-en-1-yl-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
The InChIKey is MNARDCMJLXQBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-18(15-3-1-2-4-15)21-6-5-17-19-13-16(22(17)8-7-21)14-20-9-11-24-12-10-20/h1-2,13,15H,3-12,14H2.
What are the key properties of cyclopent-3-en-1-yl-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
cyclopent-3-en-1-yl-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone has a molecular weight of 330.43 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone is sourced from PubChem (CID 97390211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).