5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)pentanoic acid

C22H32N2O3 — CID 134788489

IUPAC5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)pentanoic acid
SMILESCCCN1CCCC2(Cc3ccccc3CN(C(=O)CCCC(=O)O)C2)C1
InChIInChI=1S/C22H32N2O3/c1-2-12-23-13-6-11-22(16-23)14-18-7-3-4-8-19(18)15-24(17-22)20(25)9-5-10-21(26)27/h3-4,7-8H,2,5-6,9-17H2,1H3,(H,26,27)
InChIKeyPXQMMNPAEZJNHQ-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.32
Rot. Bonds6

About 5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)pentanoic acid

5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)pentanoic acid (PubChem CID 134788489) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)pentanoic acid
PubChem CID134788489
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)pentanoic acid
SMILESCCCN1CCCC2(Cc3ccccc3CN(C(=O)CCCC(=O)O)C2)C1
InChIInChI=1S/C22H32N2O3/c1-2-12-23-13-6-11-22(16-23)14-18-7-3-4-8-19(18)15-24(17-22)20(25)9-5-10-21(26)27/h3-4,7-8H,2,5-6,9-17H2,1H3,(H,26,27)
InChIKeyPXQMMNPAEZJNHQ-UHFFFAOYSA-N
XLogP3.32
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)pentanoic acid?
The IUPAC name of 5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)pentanoic acid (CID 134788489) is 5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)pentanoic acid?
The canonical SMILES for 5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)pentanoic acid is CCCN1CCCC2(Cc3ccccc3CN(C(=O)CCCC(=O)O)C2)C1.
What is the InChIKey of 5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)pentanoic acid?
The InChIKey is PXQMMNPAEZJNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-2-12-23-13-6-11-22(16-23)14-18-7-3-4-8-19(18)15-24(17-22)20(25)9-5-10-21(26)27/h3-4,7-8H,2,5-6,9-17H2,1H3,(H,26,27).
What are the key properties of 5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)pentanoic acid?
5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)pentanoic acid has a molecular weight of 372.51 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)pentanoic acid is sourced from PubChem (CID 134788489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).