N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide

C15H22N4O2 — CID 97467211

IUPACN-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide
SMILESCC(=O)N1CCc2ncc(CNC(=O)C3CCC3)n2CC1
InChIInChI=1S/C15H22N4O2/c1-11(20)18-6-5-14-16-9-13(19(14)8-7-18)10-17-15(21)12-3-2-4-12/h9,12H,2-8,10H2,1H3,(H,17,21)
InChIKeyTZSXTBDUEGMZMX-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.70
Rot. Bonds3

About N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide

N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide (PubChem CID 97467211) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide
PubChem CID97467211
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide
SMILESCC(=O)N1CCc2ncc(CNC(=O)C3CCC3)n2CC1
InChIInChI=1S/C15H22N4O2/c1-11(20)18-6-5-14-16-9-13(19(14)8-7-18)10-17-15(21)12-3-2-4-12/h9,12H,2-8,10H2,1H3,(H,17,21)
InChIKeyTZSXTBDUEGMZMX-UHFFFAOYSA-N
XLogP0.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide (CID 97467211) is N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide is CC(=O)N1CCc2ncc(CNC(=O)C3CCC3)n2CC1.
What is the InChIKey of N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide?
The InChIKey is TZSXTBDUEGMZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11(20)18-6-5-14-16-9-13(19(14)8-7-18)10-17-15(21)12-3-2-4-12/h9,12H,2-8,10H2,1H3,(H,17,21).
What are the key properties of N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide?
N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 97467211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).