spiro[1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-3-carboxamide;dihydrochloride

C17H24Cl2N4O — CID 68500361

IUPACspiro[1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1=CNC2N1CCc1ccccc1C21CCNCC1
InChIInChI=1S/C17H22N4O.2ClH/c18-15(22)14-11-20-16-17(6-8-19-9-7-17)13-4-2-1-3-12(13)5-10-21(14)16;;/h1-4,11,16,19-20H,5-10H2,(H2,18,22);2*1H
InChIKeyIVBALDQQNKNIEN-UHFFFAOYSA-N
MW371.31 g/mol
LogP1.27
Rot. Bonds1

About spiro[1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-3-carboxamide;dihydrochloride

spiro[1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-3-carboxamide;dihydrochloride (PubChem CID 68500361) has the molecular formula C17H24Cl2N4O and a molecular weight of 371.31 g/mol. Its IUPAC name is spiro[1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Namespiro[1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-3-carboxamide;dihydrochloride
PubChem CID68500361
Molecular FormulaC17H24Cl2N4O
Molecular Weight371.31 g/mol
Exact Mass370.13
IUPAC Namespiro[1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1=CNC2N1CCc1ccccc1C21CCNCC1
InChIInChI=1S/C17H22N4O.2ClH/c18-15(22)14-11-20-16-17(6-8-19-9-7-17)13-4-2-1-3-12(13)5-10-21(14)16;;/h1-4,11,16,19-20H,5-10H2,(H2,18,22);2*1H
InChIKeyIVBALDQQNKNIEN-UHFFFAOYSA-N
XLogP1.27
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-3-carboxamide;dihydrochloride?
The IUPAC name of spiro[1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-3-carboxamide;dihydrochloride (CID 68500361) is spiro[1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-3-carboxamide;dihydrochloride.
What is the SMILES notation for spiro[1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-3-carboxamide;dihydrochloride?
The canonical SMILES for spiro[1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-3-carboxamide;dihydrochloride is Cl.Cl.NC(=O)C1=CNC2N1CCc1ccccc1C21CCNCC1.
What is the InChIKey of spiro[1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-3-carboxamide;dihydrochloride?
The InChIKey is IVBALDQQNKNIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.2ClH/c18-15(22)14-11-20-16-17(6-8-19-9-7-17)13-4-2-1-3-12(13)5-10-21(14)16;;/h1-4,11,16,19-20H,5-10H2,(H2,18,22);2*1H.
What are the key properties of spiro[1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-3-carboxamide;dihydrochloride?
spiro[1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-3-carboxamide;dihydrochloride has a molecular weight of 371.31 g/mol, XLogP of 1.27, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-3-carboxamide;dihydrochloride is sourced from PubChem (CID 68500361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).