N-[[5-(2-methyl-2-piperidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide

C22H37N5O — CID 72935980

IUPACN-[[5-(2-methyl-2-piperidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
SMILESCC(C)(CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1)N1CCCCC1
InChIInChI=1S/C22H37N5O/c1-22(2,26-11-4-3-5-12-26)17-25-10-7-13-27-20(16-25)14-19(24-27)15-23-21(28)18-8-6-9-18/h14,18H,3-13,15-17H2,1-2H3,(H,23,28)
InChIKeyGVJOSXIQNVGFCH-UHFFFAOYSA-N
MW387.57 g/mol
LogP2.77
Rot. Bonds6

About N-[[5-(2-methyl-2-piperidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide

N-[[5-(2-methyl-2-piperidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 72935980) has the molecular formula C22H37N5O and a molecular weight of 387.57 g/mol. Its IUPAC name is N-[[5-(2-methyl-2-piperidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[5-(2-methyl-2-piperidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID72935980
Molecular FormulaC22H37N5O
Molecular Weight387.57 g/mol
Exact Mass387.30
IUPAC NameN-[[5-(2-methyl-2-piperidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
SMILESCC(C)(CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1)N1CCCCC1
InChIInChI=1S/C22H37N5O/c1-22(2,26-11-4-3-5-12-26)17-25-10-7-13-27-20(16-25)14-19(24-27)15-23-21(28)18-8-6-9-18/h14,18H,3-13,15-17H2,1-2H3,(H,23,28)
InChIKeyGVJOSXIQNVGFCH-UHFFFAOYSA-N
XLogP2.77
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methyl-2-piperidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[5-(2-methyl-2-piperidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide (CID 72935980) is N-[[5-(2-methyl-2-piperidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[5-(2-methyl-2-piperidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[5-(2-methyl-2-piperidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide is CC(C)(CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1)N1CCCCC1.
What is the InChIKey of N-[[5-(2-methyl-2-piperidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is GVJOSXIQNVGFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O/c1-22(2,26-11-4-3-5-12-26)17-25-10-7-13-27-20(16-25)14-19(24-27)15-23-21(28)18-8-6-9-18/h14,18H,3-13,15-17H2,1-2H3,(H,23,28).
What are the key properties of N-[[5-(2-methyl-2-piperidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
N-[[5-(2-methyl-2-piperidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 387.57 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methyl-2-piperidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 72935980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).