7,7-dimethyl-2-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one

C19H32N4O — CID 50983425

IUPAC7,7-dimethyl-2-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
SMILESCC(C)CN1CCCCC1Cc1nc2c([nH]1)CC(C)(C)CNC2=O
InChIInChI=1S/C19H32N4O/c1-13(2)11-23-8-6-5-7-14(23)9-16-21-15-10-19(3,4)12-20-18(24)17(15)22-16/h13-14H,5-12H2,1-4H3,(H,20,24)(H,21,22)
InChIKeyNQWNOMUCGAPBOJ-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.77
Rot. Bonds4

About 7,7-dimethyl-2-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one

7,7-dimethyl-2-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one (PubChem CID 50983425) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 7,7-dimethyl-2-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one.

Molecular Properties

Compound Name7,7-dimethyl-2-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
PubChem CID50983425
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name7,7-dimethyl-2-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
SMILESCC(C)CN1CCCCC1Cc1nc2c([nH]1)CC(C)(C)CNC2=O
InChIInChI=1S/C19H32N4O/c1-13(2)11-23-8-6-5-7-14(23)9-16-21-15-10-19(3,4)12-20-18(24)17(15)22-16/h13-14H,5-12H2,1-4H3,(H,20,24)(H,21,22)
InChIKeyNQWNOMUCGAPBOJ-UHFFFAOYSA-N
XLogP2.77
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The IUPAC name of 7,7-dimethyl-2-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one (CID 50983425) is 7,7-dimethyl-2-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one.
What is the SMILES notation for 7,7-dimethyl-2-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The canonical SMILES for 7,7-dimethyl-2-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one is CC(C)CN1CCCCC1Cc1nc2c([nH]1)CC(C)(C)CNC2=O.
What is the InChIKey of 7,7-dimethyl-2-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The InChIKey is NQWNOMUCGAPBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-13(2)11-23-8-6-5-7-14(23)9-16-21-15-10-19(3,4)12-20-18(24)17(15)22-16/h13-14H,5-12H2,1-4H3,(H,20,24)(H,21,22).
What are the key properties of 7,7-dimethyl-2-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
7,7-dimethyl-2-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one has a molecular weight of 332.49 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one is sourced from PubChem (CID 50983425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).